protein_family.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "id": "9cbb31da",
   "metadata": {},
   "source": [
    "# Build a model of a protein family starting from a single sequence\n",
    "\n",
    "\n",
    "1. Retrieve homologous (similar) sequences\n",
    "2. Build a MSA from retrieved sequences\n",
    "3. Caclulate a PSSM or HMM from the MSA\n",
    "4. Evaluate the model against a ground truth dataset\n",
    "\n",
    "\n",
    "### Implementation\n",
    "For each step some alternative implementations that can have an effect on the model accuracy\n",
    "\n",
    "**Step 1**\n",
    "- Blast against a database (SwissProt, UniProt, RefSeq, NR, ReferenceProteomes, ...)\n",
    "\n",
    "**Step 2**\n",
    "- Build the MSA from Blast alignments \n",
    "- Build MSA realigning Blast hits (ClustalO, T-Coffee, Muscle, ...)\n",
    "- Edit the MSA to remove poorly conserved columns\n",
    "- Remove sequence redundancy, similar sequences, to improve model generalization\n",
    "- Split the MSA, e.g. when there are multiple domains\n",
    "\n",
    "**Step 3**\n",
    "- Build a HMM using the HMMER command line \n",
    "- Build a PSSM using the Blast command line\n",
    "- Skip this step and use the MSA in step 4 with HMMSEARCH\n",
    "\n",
    "**Step 4**\n",
    "- Define a ground truth dataset (Pfam, CATH, keywords, manual curation, ...)\n",
    "- Calculate precision, recall, MCC, balanced accuracy\n",
    "\n",
    "\n",
    "\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "339c26af",
   "metadata": {},
   "outputs": [],
   "source": [
    "from Bio import SeqIO\n",
    "from Bio.Blast import NCBIXML\n",
    "import pandas as pd\n",
    "from pathlib import Path"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "e55f32a7",
   "metadata": {},
   "source": [
    "# Generate a MSA\n",
    "\n",
    "Align P06621 with the [NCBI Blast webservice](https://blast.ncbi.nlm.nih.gov/Blast.cgi?PROGRAM=blastp&PAGE_TYPE=BlastSearch&LINK_LOC=blasthome)\n",
    "\n",
    "Use to alternative databases\n",
    "-SwissProt\n",
    "-RefSeq selected\n",
    "\n",
    "Set \"Max target sequences\" to 5000\n",
    "When finish click on \"Download\" and select XML format"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "bf4b485c",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>query_id</th>\n",
       "      <th>subject_id</th>\n",
       "      <th>query_len</th>\n",
       "      <th>query_seq</th>\n",
       "      <th>match_seq</th>\n",
       "      <th>subject_seq</th>\n",
       "      <th>query_start</th>\n",
       "      <th>query_end</th>\n",
       "      <th>subject_start</th>\n",
       "      <th>subject_end</th>\n",
       "      <th>identity</th>\n",
       "      <th>positive</th>\n",
       "      <th>gaps</th>\n",
       "      <th>eval</th>\n",
       "      <th>bit_score</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...</td>\n",
       "      <td>gi|1545301071|ref|WP_126472623.1| M20/M25/M40 ...</td>\n",
       "      <td>415</td>\n",
       "      <td>MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKT...</td>\n",
       "      <td>MRPSIHRTAIAAVLATAF+AGTALAQKRDNVLFQAATDEQPAVIKT...</td>\n",
       "      <td>MRPSIHRTAIAAVLATAFMAGTALAQKRDNVLFQAATDEQPAVIKT...</td>\n",
       "      <td>1</td>\n",
       "      <td>415</td>\n",
       "      <td>1</td>\n",
       "      <td>415</td>\n",
       "      <td>410</td>\n",
       "      <td>414</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>2129.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...</td>\n",
       "      <td>gi|1543118946|ref|WP_126023768.1| M20/M25/M40 ...</td>\n",
       "      <td>415</td>\n",
       "      <td>MRPSIHRTAIAAVLATAFVAGTA-LAQKRDNVLFQAATDEQPAVIK...</td>\n",
       "      <td>MRPSIHRTA+AA+LA AFVA  A  AQKRDNVLFQAATDEQPAVIK...</td>\n",
       "      <td>MRPSIHRTALAALLAAAFVAPAATWAQKRDNVLFQAATDEQPAVIK...</td>\n",
       "      <td>1</td>\n",
       "      <td>415</td>\n",
       "      <td>1</td>\n",
       "      <td>416</td>\n",
       "      <td>407</td>\n",
       "      <td>411</td>\n",
       "      <td>1</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>2097.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...</td>\n",
       "      <td>gi|1797811451|ref|WP_159279459.1| M20/M25/M40 ...</td>\n",
       "      <td>415</td>\n",
       "      <td>MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKT...</td>\n",
       "      <td>MRPSIHRTA+AAVLATAFVAG A AQKRDNVLFQAATDEQPAVIKT...</td>\n",
       "      <td>MRPSIHRTAVAAVLATAFVAGGAWAQKRDNVLFQAATDEQPAVIKT...</td>\n",
       "      <td>1</td>\n",
       "      <td>415</td>\n",
       "      <td>1</td>\n",
       "      <td>415</td>\n",
       "      <td>393</td>\n",
       "      <td>408</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>1992.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...</td>\n",
       "      <td>gi|1480890214|ref|WP_119552493.1| M20/M25/M40 ...</td>\n",
       "      <td>415</td>\n",
       "      <td>MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKT...</td>\n",
       "      <td>MRPSIHRTA+AA+LATAF+A  A AQKRDNVLFQAATDEQPAVIKT...</td>\n",
       "      <td>MRPSIHRTALAALLATAFLAPAAWAQKRDNVLFQAATDEQPAVIKT...</td>\n",
       "      <td>1</td>\n",
       "      <td>415</td>\n",
       "      <td>1</td>\n",
       "      <td>415</td>\n",
       "      <td>389</td>\n",
       "      <td>405</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>1978.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...</td>\n",
       "      <td>gi|1011471139|ref|WP_062367304.1| M20/M25/M40 ...</td>\n",
       "      <td>415</td>\n",
       "      <td>MRPSIHRT-AIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIK...</td>\n",
       "      <td>MRP   RT   A +           AQKRDNVLFQAATD QPAV+K...</td>\n",
       "      <td>MRPFNQRTMLAALLATALLAPAAGWAQKRDNVLFQAATDAQPAVLK...</td>\n",
       "      <td>1</td>\n",
       "      <td>415</td>\n",
       "      <td>1</td>\n",
       "      <td>416</td>\n",
       "      <td>374</td>\n",
       "      <td>393</td>\n",
       "      <td>1</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>1938.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4996</th>\n",
       "      <td>sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...</td>\n",
       "      <td>gi|1510926788|ref|WP_122926114.1| ArgE/DapE fa...</td>\n",
       "      <td>415</td>\n",
       "      <td>EQPAVIKTLEKLVNIETGT----GDAEGIAAAGNFLEAELKNLGFT...</td>\n",
       "      <td>E+  +I  ++ L+ I++       D  G      +L+A+L  +G  ...</td>\n",
       "      <td>ERDELIGLVQDLIRIDSVNPYLDADGPGEREMAAYLQAKLVEMGLE...</td>\n",
       "      <td>39</td>\n",
       "      <td>261</td>\n",
       "      <td>6</td>\n",
       "      <td>223</td>\n",
       "      <td>70</td>\n",
       "      <td>117</td>\n",
       "      <td>19</td>\n",
       "      <td>2.135720e-12</td>\n",
       "      <td>190.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4997</th>\n",
       "      <td>sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...</td>\n",
       "      <td>gi|1460625799|ref|WP_116468663.1| hydrolase [S...</td>\n",
       "      <td>415</td>\n",
       "      <td>LVVGDNIVGKIKGRGGKNLLLMSHMDTVY-LKGILAKAPFRVEGDK...</td>\n",
       "      <td>L  G+++   ++      +L   HMDTV+    +     +R +G  ...</td>\n",
       "      <td>LAHGEHLHLVVRPEAPIQMLFTGHMDTVFGADHVFQHGQWRTDG-T...</td>\n",
       "      <td>89</td>\n",
       "      <td>411</td>\n",
       "      <td>78</td>\n",
       "      <td>396</td>\n",
       "      <td>93</td>\n",
       "      <td>150</td>\n",
       "      <td>18</td>\n",
       "      <td>2.144680e-12</td>\n",
       "      <td>190.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4998</th>\n",
       "      <td>sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...</td>\n",
       "      <td>gi|1718634206|ref|WP_145030192.1| M20/M25/M40 ...</td>\n",
       "      <td>415</td>\n",
       "      <td>LFQAATDEQPAVIKTLEKLVNIETGTGDAEGIAAAGNFLEAELKNL...</td>\n",
       "      <td>+ +A T E  A I  + +L++I   +G+ +G+A   +FL  +LK  ...</td>\n",
       "      <td>MARAKTSENKAAIDLVLELLSISGKSGEEKGVA---DFLVKKLKGA...</td>\n",
       "      <td>32</td>\n",
       "      <td>237</td>\n",
       "      <td>1</td>\n",
       "      <td>210</td>\n",
       "      <td>73</td>\n",
       "      <td>106</td>\n",
       "      <td>24</td>\n",
       "      <td>2.197150e-12</td>\n",
       "      <td>190.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4999</th>\n",
       "      <td>sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...</td>\n",
       "      <td>gi|1393435437|ref|WP_109798908.1| M20/M25/M40 ...</td>\n",
       "      <td>415</td>\n",
       "      <td>IAAVLATAFVAGTALAQKRDN----VLFQAATDEQPAVIKTLEKLV...</td>\n",
       "      <td>IA+ LA +  A  A+A+  ++     +      EQ   +K LE LV...</td>\n",
       "      <td>IASALALSCSAVQAMAKGPESGPEARMIATIDAEQTRTLKFLETLV...</td>\n",
       "      <td>10</td>\n",
       "      <td>339</td>\n",
       "      <td>7</td>\n",
       "      <td>361</td>\n",
       "      <td>96</td>\n",
       "      <td>151</td>\n",
       "      <td>27</td>\n",
       "      <td>2.322320e-12</td>\n",
       "      <td>190.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5000</th>\n",
       "      <td>sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...</td>\n",
       "      <td>gi|1188361627|ref|WP_085482951.1| M20/M25/M40 ...</td>\n",
       "      <td>415</td>\n",
       "      <td>AATDEQPAVIKTLEKLVNIETGTGD----AEGIAAAGNFLEAELKN...</td>\n",
       "      <td>AAT E   ++  L +LV I++   D      G AA  +F+   L  ...</td>\n",
       "      <td>AATGES-ELVSLLRRLVEIDSSNPDLGSTGRGEAAVADFITDWLAP...</td>\n",
       "      <td>35</td>\n",
       "      <td>413</td>\n",
       "      <td>13</td>\n",
       "      <td>394</td>\n",
       "      <td>104</td>\n",
       "      <td>180</td>\n",
       "      <td>37</td>\n",
       "      <td>2.334210e-12</td>\n",
       "      <td>189.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>5001 rows × 15 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                                               query_id  \\\n",
       "0     sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...   \n",
       "1     sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...   \n",
       "2     sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...   \n",
       "3     sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...   \n",
       "4     sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...   \n",
       "...                                                 ...   \n",
       "4996  sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...   \n",
       "4997  sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...   \n",
       "4998  sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...   \n",
       "4999  sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...   \n",
       "5000  sp|P06621|CBPG_PSES6 Carboxypeptidase G2 OS=Ps...   \n",
       "\n",
       "                                             subject_id  query_len  \\\n",
       "0     gi|1545301071|ref|WP_126472623.1| M20/M25/M40 ...        415   \n",
       "1     gi|1543118946|ref|WP_126023768.1| M20/M25/M40 ...        415   \n",
       "2     gi|1797811451|ref|WP_159279459.1| M20/M25/M40 ...        415   \n",
       "3     gi|1480890214|ref|WP_119552493.1| M20/M25/M40 ...        415   \n",
       "4     gi|1011471139|ref|WP_062367304.1| M20/M25/M40 ...        415   \n",
       "...                                                 ...        ...   \n",
       "4996  gi|1510926788|ref|WP_122926114.1| ArgE/DapE fa...        415   \n",
       "4997  gi|1460625799|ref|WP_116468663.1| hydrolase [S...        415   \n",
       "4998  gi|1718634206|ref|WP_145030192.1| M20/M25/M40 ...        415   \n",
       "4999  gi|1393435437|ref|WP_109798908.1| M20/M25/M40 ...        415   \n",
       "5000  gi|1188361627|ref|WP_085482951.1| M20/M25/M40 ...        415   \n",
       "\n",
       "                                              query_seq  \\\n",
       "0     MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKT...   \n",
       "1     MRPSIHRTAIAAVLATAFVAGTA-LAQKRDNVLFQAATDEQPAVIK...   \n",
       "2     MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKT...   \n",
       "3     MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKT...   \n",
       "4     MRPSIHRT-AIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIK...   \n",
       "...                                                 ...   \n",
       "4996  EQPAVIKTLEKLVNIETGT----GDAEGIAAAGNFLEAELKNLGFT...   \n",
       "4997  LVVGDNIVGKIKGRGGKNLLLMSHMDTVY-LKGILAKAPFRVEGDK...   \n",
       "4998  LFQAATDEQPAVIKTLEKLVNIETGTGDAEGIAAAGNFLEAELKNL...   \n",
       "4999  IAAVLATAFVAGTALAQKRDN----VLFQAATDEQPAVIKTLEKLV...   \n",
       "5000  AATDEQPAVIKTLEKLVNIETGTGD----AEGIAAAGNFLEAELKN...   \n",
       "\n",
       "                                              match_seq  \\\n",
       "0     MRPSIHRTAIAAVLATAF+AGTALAQKRDNVLFQAATDEQPAVIKT...   \n",
       "1     MRPSIHRTA+AA+LA AFVA  A  AQKRDNVLFQAATDEQPAVIK...   \n",
       "2     MRPSIHRTA+AAVLATAFVAG A AQKRDNVLFQAATDEQPAVIKT...   \n",
       "3     MRPSIHRTA+AA+LATAF+A  A AQKRDNVLFQAATDEQPAVIKT...   \n",
       "4     MRP   RT   A +           AQKRDNVLFQAATD QPAV+K...   \n",
       "...                                                 ...   \n",
       "4996  E+  +I  ++ L+ I++       D  G      +L+A+L  +G  ...   \n",
       "4997  L  G+++   ++      +L   HMDTV+    +     +R +G  ...   \n",
       "4998  + +A T E  A I  + +L++I   +G+ +G+A   +FL  +LK  ...   \n",
       "4999  IA+ LA +  A  A+A+  ++     +      EQ   +K LE LV...   \n",
       "5000  AAT E   ++  L +LV I++   D      G AA  +F+   L  ...   \n",
       "\n",
       "                                            subject_seq  query_start  \\\n",
       "0     MRPSIHRTAIAAVLATAFMAGTALAQKRDNVLFQAATDEQPAVIKT...            1   \n",
       "1     MRPSIHRTALAALLAAAFVAPAATWAQKRDNVLFQAATDEQPAVIK...            1   \n",
       "2     MRPSIHRTAVAAVLATAFVAGGAWAQKRDNVLFQAATDEQPAVIKT...            1   \n",
       "3     MRPSIHRTALAALLATAFLAPAAWAQKRDNVLFQAATDEQPAVIKT...            1   \n",
       "4     MRPFNQRTMLAALLATALLAPAAGWAQKRDNVLFQAATDAQPAVLK...            1   \n",
       "...                                                 ...          ...   \n",
       "4996  ERDELIGLVQDLIRIDSVNPYLDADGPGEREMAAYLQAKLVEMGLE...           39   \n",
       "4997  LAHGEHLHLVVRPEAPIQMLFTGHMDTVFGADHVFQHGQWRTDG-T...           89   \n",
       "4998  MARAKTSENKAAIDLVLELLSISGKSGEEKGVA---DFLVKKLKGA...           32   \n",
       "4999  IASALALSCSAVQAMAKGPESGPEARMIATIDAEQTRTLKFLETLV...           10   \n",
       "5000  AATGES-ELVSLLRRLVEIDSSNPDLGSTGRGEAAVADFITDWLAP...           35   \n",
       "\n",
       "      query_end  subject_start  subject_end  identity  positive  gaps  \\\n",
       "0           415              1          415       410       414     0   \n",
       "1           415              1          416       407       411     1   \n",
       "2           415              1          415       393       408     0   \n",
       "3           415              1          415       389       405     0   \n",
       "4           415              1          416       374       393     1   \n",
       "...         ...            ...          ...       ...       ...   ...   \n",
       "4996        261              6          223        70       117    19   \n",
       "4997        411             78          396        93       150    18   \n",
       "4998        237              1          210        73       106    24   \n",
       "4999        339              7          361        96       151    27   \n",
       "5000        413             13          394       104       180    37   \n",
       "\n",
       "              eval  bit_score  \n",
       "0     0.000000e+00     2129.0  \n",
       "1     0.000000e+00     2097.0  \n",
       "2     0.000000e+00     1992.0  \n",
       "3     0.000000e+00     1978.0  \n",
       "4     0.000000e+00     1938.0  \n",
       "...            ...        ...  \n",
       "4996  2.135720e-12      190.0  \n",
       "4997  2.144680e-12      190.0  \n",
       "4998  2.197150e-12      190.0  \n",
       "4999  2.322320e-12      190.0  \n",
       "5000  2.334210e-12      189.0  \n",
       "\n",
       "[5001 rows x 15 columns]"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "\n",
    "# Parse the XML output\n",
    "data = []\n",
    "\n",
    "# WARNING: if the code below crashes, remove \"CREATE VIEW\" lines manually from the XML file\n",
    "\n",
    "# blast_input = 'data/P06621_sprot.xml'  # SwissProt database\n",
    "blast_input = 'data/P06621_refseq_selected.xml'  # \"RefSeq selected\" database\n",
    "\n",
    "with open(blast_input) as f:\n",
    "    blast_records = NCBIXML.parse(f)\n",
    "\n",
    "    # Iterate Psiblast rounds\n",
    "    for blast_record in blast_records:\n",
    "        \n",
    "        # Iterate query alignments\n",
    "        query_id = blast_record.query\n",
    "        for i, alignment in enumerate(blast_record.alignments):\n",
    "            subject_id = alignment.title\n",
    "            \n",
    "            for hsp in alignment.hsps:\n",
    "                data.append((query_id,\n",
    "                                subject_id,\n",
    "                                blast_record.query_length,\n",
    "                                hsp.query,\n",
    "                                hsp.match,\n",
    "                                hsp.sbjct,\n",
    "                                hsp.query_start,\n",
    "                                hsp.query_end,\n",
    "                                hsp.sbjct_start,\n",
    "                                hsp.sbjct_end,\n",
    "                                hsp.identities,\n",
    "                                hsp.positives,\n",
    "                                hsp.gaps,\n",
    "                                hsp.expect,\n",
    "                                hsp.score))\n",
    "                \n",
    "df = pd.DataFrame(data, columns=[\"query_id\", \"subject_id\", \"query_len\",\n",
    "                              \"query_seq\", \"match_seq\", \"subject_seq\",\n",
    "                              \"query_start\", \"query_end\", \n",
    "                              \"subject_start\", \"subject_end\", \"identity\", \"positive\", \"gaps\", \"eval\", \"bit_score\"])\n",
    "df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "62b254d9",
   "metadata": {},
   "outputs": [],
   "source": [
    "# Extract the sequence of subject proteins (hits) aligned with the query to build the MSA\n",
    "\n",
    "input_path = Path(blast_input)\n",
    "msa = []\n",
    "\n",
    "with open(\"{}/{}_blast_msa.fasta\".format(input_path.parent, input_path.stem), \"w\") as fout:\n",
    "    for index, row in df.iterrows():\n",
    "        mapped_seq = [\"-\"] * blast_record.query_length  # Empty list of length = query_length\n",
    "        c = 0\n",
    "        if row[\"eval\"] < 0.001:\n",
    "        #     print(row)\n",
    "            for l_q, l_s in zip(row['query_seq'], row['subject_seq']):\n",
    "                if l_q != \" \" and l_q != '-':\n",
    "                    mapped_seq[row[\"query_start\"] + c -1] = l_s if l_s != \" \" else \"-\"\n",
    "                    c += 1\n",
    "            fout.write(\">{}\\n{}\\n\".format(row[\"subject_id\"], \"\".join(mapped_seq)))\n",
    "\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "38be23f0",
   "metadata": {},
   "source": [
    "# Generate a better MSA\n",
    "\n",
    "Generate a new, possibly better, MSA starting from the full sequences of hits retrieved by Blast using the Clustal Omega method\n",
    "\n",
    "1. Extract the protein IDs from previous files\n",
    "\n",
    "```\n",
    "    # SwissProt IDs\n",
    "    awk -F\"|\" '/>/ {print $2}' data/P06621_sprot_blast_msa.fasta > tmp\n",
    "    \n",
    "    # RefSeq IDs (ex. WP_094475116.1)\n",
    "    awk -F\"|\" '/>/ {print $4}' data/P06621_refseq_selected_blast_msa.fasta > tmp2\n",
    "   \n",
    "``` \n",
    "\n",
    "2. Download the sequences from UniProt using the **Retrieve/ID mapping** web tool\n",
    "    * For SwissProt IDs select \"From --> UniProtKB, To UniProtKB. Download into **P06621_sprot_blast_mapped.fasta** \n",
    "    * For RefSeq selected \"From --> RefSeq Protein, To UniProtKB. Select \"View UniParc results\" to increase the number of retrieved sequences. Download into **P06621_refseq_selected_blast_mapped.fasta**\n",
    "\n",
    "\n",
    "3. Use [ClustalO](https://www.ebi.ac.uk/Tools/msa/clustalo/) to generate new MSAs. Select the *Fasta* output format and save into\n",
    "    * **P06621_sprot_blast_clustal.fasta**\n",
    "    * **P06621_refseq_selected_blast_clustal.fasta**\n",
    "\n",
    "\n",
    "4. Compare the Blast MSA and the ClustalO MSA in JalView\n",
    "\n",
    "```\n",
    "    java -jar jalview-all-2.11.1.4-j1.8.jar\n",
    "```"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "4dead30f",
   "metadata": {},
   "source": [
    "# Build PSSMs\n",
    "\n",
    "To build PSSM from a MSA file it is necesary to use the command line version of Blast\n",
    "\n",
    "#### Install Blast (~250 Mb)\n",
    "```\n",
    "wget ftp://ftp.ncbi.nlm.nih.gov/blast/executables/blast+/LATEST/ncbi-blast-2.12.0+-x64-linux.tar.gz\n",
    "tar -xzf ncbi-blast-2.12.0+-x64-linux.tar.gz\n",
    "\n",
    "```\n",
    "\n",
    "#### Create a PSSM from a Fasta MSA \n",
    "\n",
    "Before running the command remove *gi|1774282670|ref|WP_153585536.1|* from the **data/P06621_refseq_selected_blast_msa.fasta** file, for some reasons it breaks the PSSM build\n",
    "\n",
    "The content of the file in the -subject option is irrelevant, just use a valid fasta file\n",
    "```\n",
    "ncbi-blast-2.12.0+/bin/psiblast -subject data/P06621.fasta -in_msa data/P06621_sprot_blast_msa.fasta -out_pssm data/P06621_sprot_blast_msa.pssm -out_ascii_pssm data/P06621_sprot_blast_msa.pssm_ascii\n",
    "\n",
    "ncbi-blast-2.12.0+/bin/psiblast -subject data/P06621.fasta -in_msa data/P06621_refseq_selected_blast_msa.fasta -out_pssm data/P06621_refseq_selected_blast_msa.pssm -out_ascii_pssm data/P06621_refseq_selected_blast_msa.pssm_ascii\n",
    "```"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "f5ce28c7",
   "metadata": {},
   "source": [
    "# Build HMM\n",
    "\n",
    "Install HMMER (~18 Mb)\n",
    "```\n",
    "wget http://eddylab.org/software/hmmer/hmmer.tar.gz\n",
    "tar -xzf hmmer.tar.gz\n",
    "./configure\n",
    "make\n",
    "```\n",
    "\n",
    "Generate HMMs from MSAs\n",
    "```\n",
    "hmmer-3.3.2/src/hmmbuild data/P06621_sprot_blast_msa.hmm data/P06621_sprot_blast_msa.fasta\n",
    "\n",
    "hmmer-3.3.2/src/hmmbuild data/P06621_refseq_selected_blast_msa.hmm data/P06621_refseq_selected_blast_msa.fasta\n",
    "```"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "b0ba67f0",
   "metadata": {},
   "source": [
    "# Build HMM and PSSM from ClustalO MSAs\n",
    "\n",
    "Generate PSSMs\n",
    "```\n",
    "ncbi-blast-2.12.0+/bin/psiblast -subject data/P06621.fasta -in_msa data/P06621_sprot_blast_clustal.fasta -out_pssm data/P06621_sprot_blast_clustal.pssm -out_ascii_pssm data/P06621_sprot_blast_clustal.pssm_ascii\n",
    "\n",
    "ncbi-blast-2.12.0+/bin/psiblast -subject data/P06621.fasta -in_msa data/P06621_refseq_selected_blast_clustal.fasta -out_pssm data/P06621_refseq_selected_blast_clustal.pssm -out_ascii_pssm data/P06621_refseq_selected_blast_clustal.pssm_ascii\n",
    "```\n",
    "\n",
    "Generate HMMs\n",
    "```\n",
    "hmmer-3.3.2/src/hmmbuild data/P06621_sprot_blast_clustal.hmm data/P06621_sprot_blast_clustal.fasta\n",
    "\n",
    "hmmer-3.3.2/src/hmmbuild data/P06621_refseq_selected_blast_clustal.hmm data/P06621_refseq_selected_blast_clustal.fasta\n",
    "```"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "53aff5d2",
   "metadata": {},
   "source": [
    "# Evaluation\n",
    "\n",
    "Compare performance of your models in comparison with Pfam **Peptidase_M20.hmm**. \n",
    "\n",
    "1. Evaluate the number of hits retrieved by your models and those retrived by the Pfam domain aginst the SwissProt database.\n",
    "\n",
    "    * **PSSMs** You can use the web service. When you select Psi-Blast it is possible to provide a PSSM file as input\n",
    "\n",
    "    * **HMMs** You can use HMMSEARCH from HMMER web site\n",
    "\n",
    "\n",
    "2. Evaluate the overlap between the hits retrieved by your models and the hits retrived by the Pfam model\n",
    "\n",
    "    * You need to download sequence IDs of the matched sequences \n",
    "\n",
    "\n",
    "3. Evaluate False Positive matches (if any) and decide if they are good family candidates missed by Pfam but not by your model\n",
    "\n",
    "    * You need to look at alternative information to judge. Statistical parameters, curated annotations, etc...\n",
    "    \n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "885f7148",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Target Name</th>\n",
       "      <th>Target Accession</th>\n",
       "      <th>Target Length</th>\n",
       "      <th>Query Name</th>\n",
       "      <th>Query Accession</th>\n",
       "      <th>Query Length</th>\n",
       "      <th>E-value</th>\n",
       "      <th>Score</th>\n",
       "      <th>Bias</th>\n",
       "      <th>Domain Index</th>\n",
       "      <th>...</th>\n",
       "      <th>Query Ali. Start</th>\n",
       "      <th>Query Ali. End</th>\n",
       "      <th>Target Ali. Start</th>\n",
       "      <th>Target Ali. End</th>\n",
       "      <th>Target Env. Start</th>\n",
       "      <th>Target Env. End</th>\n",
       "      <th>Acc</th>\n",
       "      <th>Description</th>\n",
       "      <th>Mapped PDB(s)</th>\n",
       "      <th>Number of Identical Sequences</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>DAPE_CHESB</td>\n",
       "      <td>DAPE_CHESB</td>\n",
       "      <td>395</td>\n",
       "      <td>Peptidase_M20</td>\n",
       "      <td>-</td>\n",
       "      <td>207</td>\n",
       "      <td>1.200000e-47</td>\n",
       "      <td>167.2</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>207</td>\n",
       "      <td>70</td>\n",
       "      <td>392</td>\n",
       "      <td>70</td>\n",
       "      <td>392</td>\n",
       "      <td>0.95</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>DAPE_RHILO</td>\n",
       "      <td>DAPE_RHILO</td>\n",
       "      <td>397</td>\n",
       "      <td>Peptidase_M20</td>\n",
       "      <td>-</td>\n",
       "      <td>207</td>\n",
       "      <td>8.400000e-47</td>\n",
       "      <td>164.4</td>\n",
       "      <td>0.1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>206</td>\n",
       "      <td>70</td>\n",
       "      <td>391</td>\n",
       "      <td>70</td>\n",
       "      <td>392</td>\n",
       "      <td>0.95</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>DAPE_BRUA1</td>\n",
       "      <td>DAPE_BRUA1</td>\n",
       "      <td>395</td>\n",
       "      <td>Peptidase_M20</td>\n",
       "      <td>-</td>\n",
       "      <td>207</td>\n",
       "      <td>1.000000e-46</td>\n",
       "      <td>164.1</td>\n",
       "      <td>0.1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>206</td>\n",
       "      <td>70</td>\n",
       "      <td>391</td>\n",
       "      <td>70</td>\n",
       "      <td>392</td>\n",
       "      <td>0.94</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>DAPE_BRUA2</td>\n",
       "      <td>DAPE_BRUA2</td>\n",
       "      <td>395</td>\n",
       "      <td>Peptidase_M20</td>\n",
       "      <td>-</td>\n",
       "      <td>207</td>\n",
       "      <td>1.000000e-46</td>\n",
       "      <td>164.1</td>\n",
       "      <td>0.1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>206</td>\n",
       "      <td>70</td>\n",
       "      <td>391</td>\n",
       "      <td>70</td>\n",
       "      <td>392</td>\n",
       "      <td>0.94</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>DAPE_BRUAB</td>\n",
       "      <td>DAPE_BRUAB</td>\n",
       "      <td>395</td>\n",
       "      <td>Peptidase_M20</td>\n",
       "      <td>-</td>\n",
       "      <td>207</td>\n",
       "      <td>1.000000e-46</td>\n",
       "      <td>164.1</td>\n",
       "      <td>0.1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>206</td>\n",
       "      <td>70</td>\n",
       "      <td>391</td>\n",
       "      <td>70</td>\n",
       "      <td>392</td>\n",
       "      <td>0.94</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1017</th>\n",
       "      <td>PFF1_PYRTT</td>\n",
       "      <td>PFF1_PYRTT</td>\n",
       "      <td>957</td>\n",
       "      <td>Peptidase_M20</td>\n",
       "      <td>-</td>\n",
       "      <td>207</td>\n",
       "      <td>8.700000e-03</td>\n",
       "      <td>20.7</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>5</td>\n",
       "      <td>83</td>\n",
       "      <td>152</td>\n",
       "      <td>210</td>\n",
       "      <td>129</td>\n",
       "      <td>351</td>\n",
       "      <td>0.81</td>\n",
       "      <td>Vacuolar membrane protease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1018</th>\n",
       "      <td>BSAP_BACSU</td>\n",
       "      <td>BSAP_BACSU</td>\n",
       "      <td>455</td>\n",
       "      <td>Peptidase_M20</td>\n",
       "      <td>-</td>\n",
       "      <td>207</td>\n",
       "      <td>9.500000e-03</td>\n",
       "      <td>20.5</td>\n",
       "      <td>0.1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>3</td>\n",
       "      <td>106</td>\n",
       "      <td>248</td>\n",
       "      <td>330</td>\n",
       "      <td>246</td>\n",
       "      <td>433</td>\n",
       "      <td>0.61</td>\n",
       "      <td>Aminopeptidase YwaD</td>\n",
       "      <td>6hc7_B</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1019</th>\n",
       "      <td>PFF1_KOMPG</td>\n",
       "      <td>PFF1_KOMPG</td>\n",
       "      <td>990</td>\n",
       "      <td>Peptidase_M20</td>\n",
       "      <td>-</td>\n",
       "      <td>207</td>\n",
       "      <td>9.900000e-03</td>\n",
       "      <td>20.5</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>33</td>\n",
       "      <td>105</td>\n",
       "      <td>237</td>\n",
       "      <td>306</td>\n",
       "      <td>225</td>\n",
       "      <td>739</td>\n",
       "      <td>0.76</td>\n",
       "      <td>Vacuolar membrane protease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1020</th>\n",
       "      <td>LAP4_ARTOC</td>\n",
       "      <td>LAP4_ARTOC</td>\n",
       "      <td>372</td>\n",
       "      <td>Peptidase_M20</td>\n",
       "      <td>-</td>\n",
       "      <td>207</td>\n",
       "      <td>9.900000e-03</td>\n",
       "      <td>20.5</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>2</td>\n",
       "      <td>97</td>\n",
       "      <td>172</td>\n",
       "      <td>259</td>\n",
       "      <td>171</td>\n",
       "      <td>365</td>\n",
       "      <td>0.76</td>\n",
       "      <td>Probable leucine aminopeptidase MCYG_03459</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1021</th>\n",
       "      <td>PFF1_PHANO</td>\n",
       "      <td>PFF1_PHANO</td>\n",
       "      <td>959</td>\n",
       "      <td>Peptidase_M20</td>\n",
       "      <td>-</td>\n",
       "      <td>207</td>\n",
       "      <td>1.000000e-02</td>\n",
       "      <td>20.5</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>5</td>\n",
       "      <td>83</td>\n",
       "      <td>158</td>\n",
       "      <td>216</td>\n",
       "      <td>154</td>\n",
       "      <td>374</td>\n",
       "      <td>0.76</td>\n",
       "      <td>Vacuolar membrane protease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>1022 rows × 25 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "     Target Name Target Accession  Target Length     Query Name  \\\n",
       "0     DAPE_CHESB       DAPE_CHESB            395  Peptidase_M20   \n",
       "1     DAPE_RHILO       DAPE_RHILO            397  Peptidase_M20   \n",
       "2     DAPE_BRUA1       DAPE_BRUA1            395  Peptidase_M20   \n",
       "3     DAPE_BRUA2       DAPE_BRUA2            395  Peptidase_M20   \n",
       "4     DAPE_BRUAB       DAPE_BRUAB            395  Peptidase_M20   \n",
       "...          ...              ...            ...            ...   \n",
       "1017  PFF1_PYRTT       PFF1_PYRTT            957  Peptidase_M20   \n",
       "1018  BSAP_BACSU       BSAP_BACSU            455  Peptidase_M20   \n",
       "1019  PFF1_KOMPG       PFF1_KOMPG            990  Peptidase_M20   \n",
       "1020  LAP4_ARTOC       LAP4_ARTOC            372  Peptidase_M20   \n",
       "1021  PFF1_PHANO       PFF1_PHANO            959  Peptidase_M20   \n",
       "\n",
       "     Query Accession  Query Length       E-value  Score  Bias  Domain Index  \\\n",
       "0                  -           207  1.200000e-47  167.2   0.0             1   \n",
       "1                  -           207  8.400000e-47  164.4   0.1             1   \n",
       "2                  -           207  1.000000e-46  164.1   0.1             1   \n",
       "3                  -           207  1.000000e-46  164.1   0.1             1   \n",
       "4                  -           207  1.000000e-46  164.1   0.1             1   \n",
       "...              ...           ...           ...    ...   ...           ...   \n",
       "1017               -           207  8.700000e-03   20.7   0.0             1   \n",
       "1018               -           207  9.500000e-03   20.5   0.1             1   \n",
       "1019               -           207  9.900000e-03   20.5   0.0             1   \n",
       "1020               -           207  9.900000e-03   20.5   0.0             1   \n",
       "1021               -           207  1.000000e-02   20.5   0.0             1   \n",
       "\n",
       "      ...  Query Ali. Start  Query Ali. End  Target Ali. Start  \\\n",
       "0     ...                 1             207                 70   \n",
       "1     ...                 1             206                 70   \n",
       "2     ...                 1             206                 70   \n",
       "3     ...                 1             206                 70   \n",
       "4     ...                 1             206                 70   \n",
       "...   ...               ...             ...                ...   \n",
       "1017  ...                 5              83                152   \n",
       "1018  ...                 3             106                248   \n",
       "1019  ...                33             105                237   \n",
       "1020  ...                 2              97                172   \n",
       "1021  ...                 5              83                158   \n",
       "\n",
       "      Target Ali. End  Target Env. Start  Target Env. End   Acc  \\\n",
       "0                 392                 70              392  0.95   \n",
       "1                 391                 70              392  0.95   \n",
       "2                 391                 70              392  0.94   \n",
       "3                 391                 70              392  0.94   \n",
       "4                 391                 70              392  0.94   \n",
       "...               ...                ...              ...   ...   \n",
       "1017              210                129              351  0.81   \n",
       "1018              330                246              433  0.61   \n",
       "1019              306                225              739  0.76   \n",
       "1020              259                171              365  0.76   \n",
       "1021              216                154              374  0.76   \n",
       "\n",
       "                                     Description  Mapped PDB(s)  \\\n",
       "0         Succinyl-diaminopimelate desuccinylase            NaN   \n",
       "1         Succinyl-diaminopimelate desuccinylase            NaN   \n",
       "2         Succinyl-diaminopimelate desuccinylase            NaN   \n",
       "3         Succinyl-diaminopimelate desuccinylase            NaN   \n",
       "4         Succinyl-diaminopimelate desuccinylase            NaN   \n",
       "...                                          ...            ...   \n",
       "1017                  Vacuolar membrane protease            NaN   \n",
       "1018                         Aminopeptidase YwaD         6hc7_B   \n",
       "1019                  Vacuolar membrane protease            NaN   \n",
       "1020  Probable leucine aminopeptidase MCYG_03459            NaN   \n",
       "1021                  Vacuolar membrane protease            NaN   \n",
       "\n",
       "      Number of Identical Sequences  \n",
       "0                                 0  \n",
       "1                                 0  \n",
       "2                                 0  \n",
       "3                                 0  \n",
       "4                                 0  \n",
       "...                             ...  \n",
       "1017                              0  \n",
       "1018                              0  \n",
       "1019                              0  \n",
       "1020                              0  \n",
       "1021                              0  \n",
       "\n",
       "[1022 rows x 25 columns]"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ground_truth = pd.read_csv('data/Peptidase_M20_sprot_hmmsearch.tsv', sep='\\t')\n",
    "ground_truth\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "f1d75c0d",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Target Name</th>\n",
       "      <th>Target Accession</th>\n",
       "      <th>Target Length</th>\n",
       "      <th>Query Name</th>\n",
       "      <th>Query Accession</th>\n",
       "      <th>Query Length</th>\n",
       "      <th>E-value</th>\n",
       "      <th>Score</th>\n",
       "      <th>Bias</th>\n",
       "      <th>Domain Index</th>\n",
       "      <th>...</th>\n",
       "      <th>Query Ali. Start</th>\n",
       "      <th>Query Ali. End</th>\n",
       "      <th>Target Ali. Start</th>\n",
       "      <th>Target Ali. End</th>\n",
       "      <th>Target Env. Start</th>\n",
       "      <th>Target Env. End</th>\n",
       "      <th>Acc</th>\n",
       "      <th>Description</th>\n",
       "      <th>Mapped PDB(s)</th>\n",
       "      <th>Number of Identical Sequences</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>CBPG_PSES6</td>\n",
       "      <td>CBPG_PSES6</td>\n",
       "      <td>415</td>\n",
       "      <td>Query</td>\n",
       "      <td>-</td>\n",
       "      <td>368</td>\n",
       "      <td>6.300000e-144</td>\n",
       "      <td>484.3</td>\n",
       "      <td>1.6</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>2</td>\n",
       "      <td>368</td>\n",
       "      <td>44</td>\n",
       "      <td>411</td>\n",
       "      <td>43</td>\n",
       "      <td>411</td>\n",
       "      <td>1.00</td>\n",
       "      <td>Carboxypeptidase G2</td>\n",
       "      <td>7m6u_D</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>YQJE_BACSU</td>\n",
       "      <td>YQJE_BACSU</td>\n",
       "      <td>371</td>\n",
       "      <td>Query</td>\n",
       "      <td>-</td>\n",
       "      <td>368</td>\n",
       "      <td>4.700000e-68</td>\n",
       "      <td>234.6</td>\n",
       "      <td>9.2</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>2</td>\n",
       "      <td>366</td>\n",
       "      <td>8</td>\n",
       "      <td>367</td>\n",
       "      <td>7</td>\n",
       "      <td>369</td>\n",
       "      <td>0.91</td>\n",
       "      <td>Uncharacterized protein YqjE</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>DAPE2_SHELP</td>\n",
       "      <td>DAPE2_SHELP</td>\n",
       "      <td>377</td>\n",
       "      <td>Query</td>\n",
       "      <td>-</td>\n",
       "      <td>368</td>\n",
       "      <td>8.000000e-46</td>\n",
       "      <td>161.5</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>9</td>\n",
       "      <td>366</td>\n",
       "      <td>8</td>\n",
       "      <td>373</td>\n",
       "      <td>2</td>\n",
       "      <td>375</td>\n",
       "      <td>0.87</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase 2</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>DAPE_DECAR</td>\n",
       "      <td>DAPE_DECAR</td>\n",
       "      <td>377</td>\n",
       "      <td>Query</td>\n",
       "      <td>-</td>\n",
       "      <td>368</td>\n",
       "      <td>9.100000e-46</td>\n",
       "      <td>161.3</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>2</td>\n",
       "      <td>367</td>\n",
       "      <td>6</td>\n",
       "      <td>373</td>\n",
       "      <td>5</td>\n",
       "      <td>374</td>\n",
       "      <td>0.87</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>DAPE_ALKEH</td>\n",
       "      <td>DAPE_ALKEH</td>\n",
       "      <td>375</td>\n",
       "      <td>Query</td>\n",
       "      <td>-</td>\n",
       "      <td>368</td>\n",
       "      <td>1.500000e-45</td>\n",
       "      <td>160.6</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>11</td>\n",
       "      <td>364</td>\n",
       "      <td>14</td>\n",
       "      <td>369</td>\n",
       "      <td>4</td>\n",
       "      <td>373</td>\n",
       "      <td>0.83</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1046</th>\n",
       "      <td>LAP1_SCLS1</td>\n",
       "      <td>LAP1_SCLS1</td>\n",
       "      <td>387</td>\n",
       "      <td>Query</td>\n",
       "      <td>-</td>\n",
       "      <td>368</td>\n",
       "      <td>7.500000e-03</td>\n",
       "      <td>20.1</td>\n",
       "      <td>0.1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>35</td>\n",
       "      <td>149</td>\n",
       "      <td>154</td>\n",
       "      <td>260</td>\n",
       "      <td>133</td>\n",
       "      <td>282</td>\n",
       "      <td>0.79</td>\n",
       "      <td>Leucine aminopeptidase 1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1047</th>\n",
       "      <td>PFF1_PARBD</td>\n",
       "      <td>PFF1_PARBD</td>\n",
       "      <td>992</td>\n",
       "      <td>Query</td>\n",
       "      <td>-</td>\n",
       "      <td>368</td>\n",
       "      <td>8.100000e-03</td>\n",
       "      <td>20.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>90</td>\n",
       "      <td>165</td>\n",
       "      <td>177</td>\n",
       "      <td>253</td>\n",
       "      <td>161</td>\n",
       "      <td>262</td>\n",
       "      <td>0.87</td>\n",
       "      <td>Vacuolar membrane protease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1048</th>\n",
       "      <td>PFF1_PARBP</td>\n",
       "      <td>PFF1_PARBP</td>\n",
       "      <td>992</td>\n",
       "      <td>Query</td>\n",
       "      <td>-</td>\n",
       "      <td>368</td>\n",
       "      <td>8.300000e-03</td>\n",
       "      <td>19.9</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>90</td>\n",
       "      <td>165</td>\n",
       "      <td>177</td>\n",
       "      <td>253</td>\n",
       "      <td>161</td>\n",
       "      <td>262</td>\n",
       "      <td>0.87</td>\n",
       "      <td>Vacuolar membrane protease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1049</th>\n",
       "      <td>LAP1_PODAN</td>\n",
       "      <td>LAP1_PODAN</td>\n",
       "      <td>395</td>\n",
       "      <td>Query</td>\n",
       "      <td>-</td>\n",
       "      <td>368</td>\n",
       "      <td>8.300000e-03</td>\n",
       "      <td>19.9</td>\n",
       "      <td>0.1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>45</td>\n",
       "      <td>149</td>\n",
       "      <td>163</td>\n",
       "      <td>261</td>\n",
       "      <td>138</td>\n",
       "      <td>274</td>\n",
       "      <td>0.77</td>\n",
       "      <td>Leucine aminopeptidase 1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1050</th>\n",
       "      <td>AMPK_PYRFU</td>\n",
       "      <td>AMPK_PYRFU</td>\n",
       "      <td>346</td>\n",
       "      <td>Query</td>\n",
       "      <td>-</td>\n",
       "      <td>368</td>\n",
       "      <td>8.500000e-03</td>\n",
       "      <td>19.9</td>\n",
       "      <td>0.2</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>98</td>\n",
       "      <td>141</td>\n",
       "      <td>176</td>\n",
       "      <td>215</td>\n",
       "      <td>156</td>\n",
       "      <td>243</td>\n",
       "      <td>0.84</td>\n",
       "      <td>Lysyl aminopeptidase</td>\n",
       "      <td>4x8i_B</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>1051 rows × 25 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "      Target Name Target Accession  Target Length Query Name Query Accession  \\\n",
       "0      CBPG_PSES6       CBPG_PSES6            415      Query               -   \n",
       "1      YQJE_BACSU       YQJE_BACSU            371      Query               -   \n",
       "2     DAPE2_SHELP      DAPE2_SHELP            377      Query               -   \n",
       "3      DAPE_DECAR       DAPE_DECAR            377      Query               -   \n",
       "4      DAPE_ALKEH       DAPE_ALKEH            375      Query               -   \n",
       "...           ...              ...            ...        ...             ...   \n",
       "1046   LAP1_SCLS1       LAP1_SCLS1            387      Query               -   \n",
       "1047   PFF1_PARBD       PFF1_PARBD            992      Query               -   \n",
       "1048   PFF1_PARBP       PFF1_PARBP            992      Query               -   \n",
       "1049   LAP1_PODAN       LAP1_PODAN            395      Query               -   \n",
       "1050   AMPK_PYRFU       AMPK_PYRFU            346      Query               -   \n",
       "\n",
       "      Query Length        E-value  Score  Bias  Domain Index  ...  \\\n",
       "0              368  6.300000e-144  484.3   1.6             1  ...   \n",
       "1              368   4.700000e-68  234.6   9.2             1  ...   \n",
       "2              368   8.000000e-46  161.5   0.0             1  ...   \n",
       "3              368   9.100000e-46  161.3   0.0             1  ...   \n",
       "4              368   1.500000e-45  160.6   0.0             1  ...   \n",
       "...            ...            ...    ...   ...           ...  ...   \n",
       "1046           368   7.500000e-03   20.1   0.1             1  ...   \n",
       "1047           368   8.100000e-03   20.0   0.0             1  ...   \n",
       "1048           368   8.300000e-03   19.9   0.0             1  ...   \n",
       "1049           368   8.300000e-03   19.9   0.1             1  ...   \n",
       "1050           368   8.500000e-03   19.9   0.2             1  ...   \n",
       "\n",
       "      Query Ali. Start  Query Ali. End  Target Ali. Start  Target Ali. End  \\\n",
       "0                    2             368                 44              411   \n",
       "1                    2             366                  8              367   \n",
       "2                    9             366                  8              373   \n",
       "3                    2             367                  6              373   \n",
       "4                   11             364                 14              369   \n",
       "...                ...             ...                ...              ...   \n",
       "1046                35             149                154              260   \n",
       "1047                90             165                177              253   \n",
       "1048                90             165                177              253   \n",
       "1049                45             149                163              261   \n",
       "1050                98             141                176              215   \n",
       "\n",
       "      Target Env. Start  Target Env. End   Acc  \\\n",
       "0                    43              411  1.00   \n",
       "1                     7              369  0.91   \n",
       "2                     2              375  0.87   \n",
       "3                     5              374  0.87   \n",
       "4                     4              373  0.83   \n",
       "...                 ...              ...   ...   \n",
       "1046                133              282  0.79   \n",
       "1047                161              262  0.87   \n",
       "1048                161              262  0.87   \n",
       "1049                138              274  0.77   \n",
       "1050                156              243  0.84   \n",
       "\n",
       "                                   Description  Mapped PDB(s)  \\\n",
       "0                          Carboxypeptidase G2         7m6u_D   \n",
       "1                 Uncharacterized protein YqjE            NaN   \n",
       "2     Succinyl-diaminopimelate desuccinylase 2            NaN   \n",
       "3       Succinyl-diaminopimelate desuccinylase            NaN   \n",
       "4       Succinyl-diaminopimelate desuccinylase            NaN   \n",
       "...                                        ...            ...   \n",
       "1046                  Leucine aminopeptidase 1            NaN   \n",
       "1047                Vacuolar membrane protease            NaN   \n",
       "1048                Vacuolar membrane protease            NaN   \n",
       "1049                  Leucine aminopeptidase 1            NaN   \n",
       "1050                      Lysyl aminopeptidase         4x8i_B   \n",
       "\n",
       "      Number of Identical Sequences  \n",
       "0                                 0  \n",
       "1                                 0  \n",
       "2                                 0  \n",
       "3                                 0  \n",
       "4                                 0  \n",
       "...                             ...  \n",
       "1046                              0  \n",
       "1047                              0  \n",
       "1048                              0  \n",
       "1049                              0  \n",
       "1050                              0  \n",
       "\n",
       "[1051 rows x 25 columns]"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# hmmsearch from the Blast MSA (HMM)\n",
    "hmmsearch_blast_msa = pd.read_csv('data/P06621_refseq_selected_blast_msa_hmmsearch.tsv', sep='\\t')\n",
    "hmmsearch_blast_msa"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "id": "56ea1eec",
   "metadata": {},
   "outputs": [],
   "source": [
    "# PSI-BLAST search with the Blast MSA (PSSM, increase 20k limit)\n",
    "# Download --> Hit Table (CSV)\n",
    "psiblast_blast_pssm = pd.read_csv('data/P06621_refseq_selected_blast_msa_psiblast.csv', header=None)\n",
    "\n",
    "# Map ids with the UniProt id mapping service \n",
    "# Alternatively download a mapping file from here (huge file) \n",
    "# https://ftp.uniprot.org/pub/databases/uniprot/current_release/knowledgebase/proteomics_mapping/\n",
    "\n",
    "psiblast_blast_pssm[psiblast_blast_pssm[10] < 0.01][1].to_csv(\n",
    "    'data/P06621_refseq_selected_blast_msa_psiblast.ids', index=False, header=False)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "id": "50f06dec",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>yourlist:M202111216320BA52A5CE8FCD097CB85A53697A35307ECBV</th>\n",
       "      <th>Entry</th>\n",
       "      <th>Entry name</th>\n",
       "      <th>Status</th>\n",
       "      <th>Protein names</th>\n",
       "      <th>Gene names</th>\n",
       "      <th>Organism</th>\n",
       "      <th>Length</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>P06621</td>\n",
       "      <td>P06621</td>\n",
       "      <td>CBPG_PSES6</td>\n",
       "      <td>reviewed</td>\n",
       "      <td>Carboxypeptidase G2 (CPDG2) (EC 3.4.17.11) (Fo...</td>\n",
       "      <td>cpg2</td>\n",
       "      <td>Pseudomonas sp. (strain RS-16)</td>\n",
       "      <td>415</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>Q5FPX5</td>\n",
       "      <td>Q5FPX5</td>\n",
       "      <td>DAPE_GLUOX</td>\n",
       "      <td>reviewed</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase (SDAP d...</td>\n",
       "      <td>dapE GOX1832</td>\n",
       "      <td>Gluconobacter oxydans (strain 621H) (Gluconoba...</td>\n",
       "      <td>381</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>A9ILD7</td>\n",
       "      <td>A9ILD7</td>\n",
       "      <td>DAPE_BART1</td>\n",
       "      <td>reviewed</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase (SDAP d...</td>\n",
       "      <td>dapE BT_0051</td>\n",
       "      <td>Bartonella tribocorum (strain CIP 105476 / IBS...</td>\n",
       "      <td>390</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>A5ESQ3</td>\n",
       "      <td>A5ESQ3</td>\n",
       "      <td>DAPE_BRASB</td>\n",
       "      <td>reviewed</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase (SDAP d...</td>\n",
       "      <td>dapE BBta_7333</td>\n",
       "      <td>Bradyrhizobium sp. (strain BTAi1 / ATCC BAA-1182)</td>\n",
       "      <td>384</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>Q59284</td>\n",
       "      <td>Q59284</td>\n",
       "      <td>DAPE_CORGL</td>\n",
       "      <td>reviewed</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase (SDAP d...</td>\n",
       "      <td>dapE Cgl1109 cg1260</td>\n",
       "      <td>Corynebacterium glutamicum (strain ATCC 13032 ...</td>\n",
       "      <td>369</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>169</th>\n",
       "      <td>Q0SWT9</td>\n",
       "      <td>Q0SWT9</td>\n",
       "      <td>PEPT_CLOPS</td>\n",
       "      <td>reviewed</td>\n",
       "      <td>Peptidase T (EC 3.4.11.4) (Aminotripeptidase) ...</td>\n",
       "      <td>pepT CPR_0029</td>\n",
       "      <td>Clostridium perfringens (strain SM101 / Type A)</td>\n",
       "      <td>406</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>170</th>\n",
       "      <td>A1JL17</td>\n",
       "      <td>A1JL17</td>\n",
       "      <td>DAPE_YERE8</td>\n",
       "      <td>reviewed</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase (SDAP d...</td>\n",
       "      <td>dapE YE1147</td>\n",
       "      <td>Yersinia enterocolitica serotype O:8 / biotype...</td>\n",
       "      <td>375</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>171</th>\n",
       "      <td>O50173</td>\n",
       "      <td>O50173</td>\n",
       "      <td>IAAH_ENTAG</td>\n",
       "      <td>reviewed</td>\n",
       "      <td>Indole-3-acetyl-aspartic acid hydrolase (EC 3....</td>\n",
       "      <td>iaaH</td>\n",
       "      <td>Enterobacter agglomerans (Erwinia herbicola) (...</td>\n",
       "      <td>436</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>172</th>\n",
       "      <td>Q4QP83</td>\n",
       "      <td>Q4QP83</td>\n",
       "      <td>DAPE_HAEI8</td>\n",
       "      <td>reviewed</td>\n",
       "      <td>Succinyl-diaminopimelate desuccinylase (SDAP d...</td>\n",
       "      <td>dapE NTHI0182</td>\n",
       "      <td>Haemophilus influenzae (strain 86-028NP)</td>\n",
       "      <td>377</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>173</th>\n",
       "      <td>Q501L1</td>\n",
       "      <td>Q501L1</td>\n",
       "      <td>P20D2_XENTR</td>\n",
       "      <td>reviewed</td>\n",
       "      <td>Peptidase M20 domain-containing protein 2 (Ami...</td>\n",
       "      <td>pm20d2 acy1l2</td>\n",
       "      <td>Xenopus tropicalis (Western clawed frog) (Silu...</td>\n",
       "      <td>443</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>174 rows × 8 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "    yourlist:M202111216320BA52A5CE8FCD097CB85A53697A35307ECBV   Entry  \\\n",
       "0                                               P06621         P06621   \n",
       "1                                               Q5FPX5         Q5FPX5   \n",
       "2                                               A9ILD7         A9ILD7   \n",
       "3                                               A5ESQ3         A5ESQ3   \n",
       "4                                               Q59284         Q59284   \n",
       "..                                                 ...            ...   \n",
       "169                                             Q0SWT9         Q0SWT9   \n",
       "170                                             A1JL17         A1JL17   \n",
       "171                                             O50173         O50173   \n",
       "172                                             Q4QP83         Q4QP83   \n",
       "173                                             Q501L1         Q501L1   \n",
       "\n",
       "      Entry name    Status                                      Protein names  \\\n",
       "0     CBPG_PSES6  reviewed  Carboxypeptidase G2 (CPDG2) (EC 3.4.17.11) (Fo...   \n",
       "1     DAPE_GLUOX  reviewed  Succinyl-diaminopimelate desuccinylase (SDAP d...   \n",
       "2     DAPE_BART1  reviewed  Succinyl-diaminopimelate desuccinylase (SDAP d...   \n",
       "3     DAPE_BRASB  reviewed  Succinyl-diaminopimelate desuccinylase (SDAP d...   \n",
       "4     DAPE_CORGL  reviewed  Succinyl-diaminopimelate desuccinylase (SDAP d...   \n",
       "..           ...       ...                                                ...   \n",
       "169   PEPT_CLOPS  reviewed  Peptidase T (EC 3.4.11.4) (Aminotripeptidase) ...   \n",
       "170   DAPE_YERE8  reviewed  Succinyl-diaminopimelate desuccinylase (SDAP d...   \n",
       "171   IAAH_ENTAG  reviewed  Indole-3-acetyl-aspartic acid hydrolase (EC 3....   \n",
       "172   DAPE_HAEI8  reviewed  Succinyl-diaminopimelate desuccinylase (SDAP d...   \n",
       "173  P20D2_XENTR  reviewed  Peptidase M20 domain-containing protein 2 (Ami...   \n",
       "\n",
       "              Gene names                                           Organism  \\\n",
       "0                   cpg2                     Pseudomonas sp. (strain RS-16)   \n",
       "1           dapE GOX1832  Gluconobacter oxydans (strain 621H) (Gluconoba...   \n",
       "2           dapE BT_0051  Bartonella tribocorum (strain CIP 105476 / IBS...   \n",
       "3         dapE BBta_7333  Bradyrhizobium sp. (strain BTAi1 / ATCC BAA-1182)   \n",
       "4    dapE Cgl1109 cg1260  Corynebacterium glutamicum (strain ATCC 13032 ...   \n",
       "..                   ...                                                ...   \n",
       "169        pepT CPR_0029    Clostridium perfringens (strain SM101 / Type A)   \n",
       "170          dapE YE1147  Yersinia enterocolitica serotype O:8 / biotype...   \n",
       "171                 iaaH  Enterobacter agglomerans (Erwinia herbicola) (...   \n",
       "172        dapE NTHI0182           Haemophilus influenzae (strain 86-028NP)   \n",
       "173        pm20d2 acy1l2  Xenopus tropicalis (Western clawed frog) (Silu...   \n",
       "\n",
       "     Length  \n",
       "0       415  \n",
       "1       381  \n",
       "2       390  \n",
       "3       384  \n",
       "4       369  \n",
       "..      ...  \n",
       "169     406  \n",
       "170     375  \n",
       "171     436  \n",
       "172     377  \n",
       "173     443  \n",
       "\n",
       "[174 rows x 8 columns]"
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "psiblast_blast_pssm = pd.read_csv('data/P06621_refseq_selected_blast_msa_psiblast_mapped.tsv', sep='\\t')\n",
    "psiblast_blast_pssm"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "id": "9e715beb",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "hmm FN 49\n",
      "hmm TP 970\n",
      "hmm FP 5\n",
      "pssm FN 846\n",
      "pssm TP 173\n",
      "pssm FP 1\n"
     ]
    }
   ],
   "source": [
    "gt = set(ground_truth[ground_truth['E-value']<0.01]['Target Accession'])\n",
    "hmm = set(hmmsearch_blast_msa[hmmsearch_blast_msa['E-value']<0.01]['Target Accession'])\n",
    "pssm = set(psiblast_blast_pssm['Entry name'])\n",
    "\n",
    "for name, data in zip(['hmm', 'pssm'], [hmm, pssm]):\n",
    "    print(name, 'FN', len(gt - data))\n",
    "    print(name, 'TP', len(gt.intersection(data)))\n",
    "    print(name, 'FP', len(data - gt))"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "e9f4347a",
   "metadata": {},
   "source": [
    "# Improve your model\n",
    "\n",
    "Manually edit the MSA in order to achieve better precision and/or recall\n",
    "\n",
    "- Identify conserved positions (ex. evaluate column entropy)\n",
    "- Remove redundancy (ex. use JalView or CD-HIT)\n",
    "\n",
    "\n",
    "#### Shannon entropy\n",
    "\n",
    "![Entropy](figures/entropy.png)\n",
    "scipy.stats.entropy [documentation](https://docs.scipy.org/doc/scipy/reference/generated/scipy.stats.entropy.html)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "9dde1a49",
   "metadata": {},
   "outputs": [],
   "source": [
    "from Bio import AlignIO\n",
    "import scipy.stats\n",
    "from collections import Counter\n",
    "import numpy as np"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "9dbc8c52",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0.9999999999999999\n",
      "0  0.00  0.00 [('M', 2)]\n",
      "1  0.00  0.23 [('S', 1), ('T', 1)]\n",
      "2  0.00  0.21 [('D', 2), ('M', 1)]\n",
      "3  0.00  0.00 [('T', 1)]\n",
      "4  0.00  0.21 [('P', 2), ('S', 1)]\n",
      "5  0.00  0.37 [('H', 1), ('D', 1), ('S', 1)]\n",
      "6  0.01  0.20 [('M', 17), ('E', 1), ('T', 1), ('P', 1)]\n",
      "7  0.01  0.50 [('S', 7), ('N', 6), ('T', 4), ('K', 1), ('H', 1), ('Q', 1)]\n",
      "8  0.00  0.00 [('D', 1)]\n",
      "9  0.00  0.00 [('P', 1)]\n",
      "10  0.01  0.32 [('D', 16), ('M', 2), ('S', 2), ('A', 1), ('E', 1)]\n",
      "11  0.01  0.58 [('T', 9), ('P', 4), ('Q', 2), ('I', 2), ('A', 2), ('S', 1), ('G', 1), ('E', 1)]\n",
      "12  0.01  0.71 [('S', 5), ('T', 5), ('M', 3), ('Q', 3), ('H', 3), ('V', 2), ('F', 1), ('A', 1), ('E', 1), ('R', 1)]\n",
      "13  0.01  0.52 [('P', 13), ('M', 10), ('Q', 5), ('S', 4), ('E', 1), ('R', 1), ('A', 1)]\n",
      "14  0.01  0.69 [('E', 8), ('S', 6), ('Q', 5), ('K', 4), ('T', 4), ('D', 2), ('V', 2), ('P', 1), ('A', 1), ('N', 1)]\n",
      "15  0.01  0.65 [('R', 13), ('G', 7), ('A', 3), ('T', 3), ('P', 2), ('K', 2), ('Q', 1), ('H', 1), ('I', 1), ('D', 1), ('S', 1)]\n",
      "16  0.01  0.50 [('A', 12), ('D', 11), ('P', 6), ('T', 4), ('R', 1), ('S', 1)]\n",
      "17  0.01  0.36 [('A', 20), ('G', 10), ('I', 3), ('P', 1), ('T', 1)]\n",
      "18  0.01  0.04 [('Y', 34), ('R', 1)]\n",
      "19  0.01  0.07 [('T', 33), ('A', 2)]\n",
      "20  0.01  0.04 [('V', 34), ('I', 1)]\n",
      "21  0.01  0.00 [('V', 35)]\n",
      "22  0.01  0.00 [('G', 35)]\n",
      "23  0.01  0.23 [('A', 19), ('G', 16)]\n",
      "24  0.01  0.00 [('G', 35)]\n",
      "25  0.01  0.00 [('A', 35)]\n",
      "26  0.01  0.00 [('I', 35)]\n",
      "27  0.01  0.00 [('G', 35)]\n",
      "28  0.01  0.00 [('G', 35)]\n",
      "29  0.01  0.00 [('T', 35)]\n",
      "30  0.01  0.04 [('L', 34), ('I', 1)]\n",
      "31  0.01  0.00 [('A', 35)]\n",
      "32  0.01  0.26 [('F', 24), ('H', 9), ('Y', 2)]\n",
      "33  0.01  0.27 [('A', 24), ('S', 8), ('R', 3)]\n",
      "34  0.01  0.00 [('L', 35)]\n",
      "35  0.01  0.09 [('A', 33), ('I', 1), ('S', 1)]\n",
      "36  0.01  0.18 [('R', 29), ('A', 5), ('G', 1)]\n",
      "37  0.01  0.04 [('A', 34), ('R', 1)]\n",
      "38  0.01  0.00 [('G', 35)]\n",
      "39  0.01  0.00 [('H', 35)]\n",
      "40  0.01  0.21 [('P', 29), ('R', 3), ('S', 2), ('A', 1)]\n",
      "41  0.01  0.04 [('V', 34), ('I', 1)]\n",
      "42  0.01  0.14 [('T', 30), ('R', 5)]\n",
      "43  0.01  0.23 [('V', 25), ('L', 9), ('I', 1)]\n",
      "44  0.01  0.17 [('V', 28), ('I', 7)]\n",
      "45  0.01  0.00 [('D', 35)]\n",
      "46  0.01  0.30 [('T', 22), ('A', 8), ('S', 5)]\n",
      "47  0.01  0.00 [('D', 35)]\n",
      "48  0.01  0.51 [('A', 13), ('R', 9), ('P', 7), ('H', 3), ('T', 2), ('Q', 1)]\n",
      "49  0.01  0.34 [('A', 22), ('D', 7), ('T', 4), ('E', 2)]\n",
      "50  0.01  0.07 [('H', 33), ('Q', 2)]\n",
      "51  0.01  0.12 [('V', 32), ('T', 2), ('I', 1)]\n",
      "52  0.01  0.28 [('A', 23), ('D', 9), ('E', 3)]\n",
      "53  0.01  0.04 [('A', 34), ('Q', 1)]\n",
      "54  0.01  0.28 [('I', 26), ('V', 4), ('M', 3), ('L', 2)]\n",
      "55  0.01  0.00 [('R', 35)]\n",
      "56  0.01  0.40 [('A', 18), ('T', 10), ('E', 4), ('S', 2), ('R', 1)]\n",
      "57  0.01  0.48 [('H', 17), ('R', 8), ('G', 5), ('D', 2), ('N', 1), ('E', 1), ('A', 1)]\n",
      "58  0.01  0.00 [('G', 35)]\n",
      "59  0.01  0.00 [('L', 35)]\n",
      "60  0.01  0.34 [('V', 17), ('T', 15), ('K', 1), ('A', 1), ('R', 1)]\n",
      "61  0.01  0.30 [('V', 24), ('L', 7), ('I', 3), ('M', 1)]\n",
      "62  0.01  0.41 [('A', 21), ('L', 6), ('D', 3), ('T', 3), ('V', 1), ('Q', 1)]\n",
      "63  0.01  0.26 [('R', 26), ('H', 6), ('A', 2), ('G', 1)]\n",
      "64  0.01  0.25 [('G', 28), ('A', 3), ('P', 2), ('H', 1), ('S', 1)]\n",
      "65  0.01  0.49 [('D', 13), ('G', 10), ('E', 7), ('Q', 3), ('H', 1), ('S', 1)]\n",
      "66  0.00  0.00 [('G', 5)]\n",
      "67  0.01  0.63 [('T', 11), ('E', 7), ('G', 5), ('H', 5), ('R', 2), ('I', 2), ('A', 1), ('K', 1), ('S', 1)]\n",
      "68  0.01  0.10 [('R', 32), ('T', 3)]\n",
      "69  0.01  0.45 [('E', 16), ('T', 12), ('F', 2), ('D', 2), ('A', 1), ('Q', 1), ('S', 1)]\n",
      "70  0.01  0.33 [('S', 25), ('A', 4), ('T', 3), ('L', 1), ('I', 1), ('G', 1)]\n",
      "71  0.01  0.21 [('V', 27), ('A', 7), ('I', 1)]\n",
      "72  0.01  0.42 [('P', 17), ('R', 10), ('A', 4), ('H', 3), ('V', 1)]\n",
      "73  0.01  0.26 [('V', 26), ('L', 6), ('R', 2), ('P', 1)]\n",
      "74  0.01  0.58 [('T', 12), ('R', 5), ('A', 4), ('E', 4), ('V', 2), ('Q', 1), ('H', 1), ('S', 1)]\n",
      "75  0.00  0.40 [('A', 4), ('D', 4), ('S', 1), ('T', 1)]\n",
      "76  0.01  0.04 [('A', 34), ('V', 1)]\n",
      "77  0.01  0.56 [('T', 12), ('A', 8), ('V', 8), ('G', 2), ('L', 2), ('F', 1), ('H', 1), ('C', 1)]\n",
      "78  0.01  0.00 [('T', 35)]\n",
      "79  0.01  0.00 [('P', 35)]\n",
      "80  0.01  0.29 [('D', 19), ('E', 14), ('G', 2)]\n",
      "81  0.01  0.33 [('E', 25), ('D', 4), ('A', 3), ('Q', 1), ('G', 1), ('S', 1)]\n",
      "82  0.01  0.42 [('F', 21), ('Y', 5), ('H', 3), ('C', 3), ('L', 2), ('W', 1)]\n",
      "83  0.01  0.53 [('D', 16), ('T', 6), ('A', 5), ('Q', 3), ('E', 2), ('S', 2), ('R', 1)]\n",
      "84  0.00  0.30 [('G', 7), ('A', 2), ('E', 2)]\n",
      "85  0.01  0.32 [('G', 23), ('P', 6), ('A', 3), ('L', 2)]\n",
      "86  0.00  0.00 [('D', 1)]\n",
      "87  0.00  0.00 [('P', 1)]\n",
      "88  0.00  0.00 [('E', 1)]\n",
      "89  0.00  0.00 [('S', 1)]\n",
      "90  0.00  0.00 [('G', 1)]\n",
      "91  0.00  0.00 [('G', 1)]\n",
      "92  0.00  0.00 [('D', 1)]\n",
      "93  0.00  0.00 [('G', 1)]\n",
      "94  0.00  0.00 [('D', 1)]\n",
      "95  0.00  0.00 [('S', 1)]\n",
      "96  0.00  0.00 [('H', 1)]\n",
      "97  0.00  0.00 [('R', 1)]\n",
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      "130  0.01  0.23 [('P', 28), ('A', 4), ('E', 2), ('V', 1)]\n",
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      "133  0.01  0.29 [('Y', 25), ('W', 5), ('C', 4), ('F', 1)]\n",
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      "162  0.01  0.00 [('I', 35)]\n",
      "163  0.01  0.00 [('F', 35)]\n",
      "164  0.01  0.00 [('A', 35)]\n",
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      "168  0.01  0.29 [('E', 27), ('G', 3), ('D', 2), ('A', 1), ('K', 1), ('T', 1)]\n",
      "169  0.01  0.04 [('P', 34), ('S', 1)]\n",
      "170  0.01  0.00 [('G', 35)]\n",
      "171  0.01  0.04 [('V', 34), ('M', 1)]\n",
      "172  0.01  0.23 [('V', 19), ('I', 16)]\n",
      "173  0.01  0.42 [('L', 13), ('R', 12), ('Q', 7), ('M', 3)]\n",
      "174  0.01  0.04 [('D', 34), ('Y', 1)]\n",
      "175  0.01  0.00 [('G', 35)]\n",
      "176  0.01  0.00 [('G', 35)]\n",
      "177  0.01  0.21 [('A', 24), ('P', 11)]\n",
      "178  0.01  0.00 [('G', 35)]\n",
      "179  0.01  0.00 [('A', 35)]\n",
      "180  0.01  0.24 [('L', 26), ('F', 7), ('V', 2)]\n",
      "181  0.01  0.07 [('V', 33), ('I', 2)]\n",
      "182  0.01  0.29 [('I', 21), ('V', 13), ('L', 1), ('M', 1)]\n",
      "183  0.01  0.04 [('G', 35), ('D', 1)]\n",
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      "185  0.01  0.22 [('P', 30), ('R', 3), ('V', 1), ('C', 1), ('W', 1)]\n",
      "186  0.01  0.57 [('G', 12), ('D', 11), ('H', 4), ('Q', 2), ('K', 2), ('R', 1), ('N', 1), ('E', 1), ('A', 1)]\n",
      "187  0.01  0.00 [('G', 36)]\n",
      "188  0.01  0.12 [('A', 32), ('G', 4)]\n",
      "189  0.01  0.16 [('P', 32), ('D', 2), ('Q', 1), ('A', 1)]\n",
      "190  0.01  0.16 [('V', 32), ('D', 2), ('T', 1), ('A', 1)]\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
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      "383  0.01  0.40 [('E', 37), ('M', 5), ('S', 3), ('L', 2), ('H', 1), ('C', 1), ('T', 1), ('W', 1), ('R', 1), ('G', 1)]\n",
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      "389  0.08  0.12 [('M', 293), ('T', 3), ('I', 3), ('S', 2), ('A', 2), ('L', 2), ('Q', 2), ('F', 1), ('R', 1), ('H', 1), ('G', 1), ('V', 1)]\n",
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    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
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      "484  0.01  0.61 [('T', 12), ('S', 9), ('P', 5), ('A', 4), ('N', 1), ('V', 1), ('H', 1), ('M', 1), ('D', 1), ('E', 1)]\n",
      "485  0.01  0.61 [('S', 9), ('T', 7), ('D', 5), ('A', 5), ('G', 4), ('P', 1), ('H', 1), ('R', 1)]\n",
      "486  0.05  0.81 [('A', 37), ('T', 31), ('P', 23), ('M', 18), ('S', 18), ('D', 12), ('E', 8), ('N', 7), ('R', 7), ('L', 6), ('K', 5), ('G', 4), ('I', 3), ('V', 2), ('H', 2), ('F', 1), ('Q', 1), ('W', 1)]\n",
      "487  0.32  0.86 [('A', 268), ('Q', 157), ('M', 117), ('T', 110), ('S', 97), ('L', 67), ('P', 60), ('E', 57), ('G', 45), ('V', 43), ('K', 37), ('R', 33), ('N', 30), ('D', 25), ('I', 22), ('H', 22), ('F', 21), ('W', 9), ('Y', 4), ('C', 3)]\n",
      "488  0.34  0.85 [('A', 341), ('P', 109), ('K', 106), ('S', 102), ('Q', 102), ('M', 98), ('T', 80), ('G', 66), ('R', 53), ('L', 51), ('E', 49), ('D', 41), ('V', 34), ('N', 26), ('Y', 21), ('H', 17), ('I', 16), ('C', 4), ('F', 2), ('W', 1)]\n",
      "489  0.40  0.80 [('L', 457), ('M', 203), ('A', 171), ('S', 104), ('P', 99), ('F', 82), ('T', 78), ('I', 55), ('Q', 46), ('D', 43), ('V', 37), ('H', 33), ('N', 29), ('R', 29), ('G', 26), ('E', 25), ('K', 15), ('W', 2), ('C', 2), ('Y', 2)]\n",
      "490  0.44  0.81 [('A', 353), ('S', 326), ('T', 180), ('D', 139), ('M', 115), ('E', 89), ('N', 81), ('P', 79), ('Q', 63), ('K', 59), ('V', 37), ('G', 36), ('R', 35), ('L', 34), ('I', 22), ('H', 13), ('Y', 9), ('F', 7)]\n",
      "491  0.48  0.87 [('A', 320), ('P', 218), ('E', 178), ('S', 163), ('M', 140), ('T', 131), ('K', 112), ('G', 94), ('D', 91), ('R', 88), ('Q', 85), ('L', 69), ('V', 45), ('N', 38), ('H', 29), ('I', 21), ('F', 8), ('Y', 4), ('C', 2)]\n",
      "492  0.49  0.88 [('P', 300), ('T', 245), ('A', 225), ('S', 145), ('D', 142), ('M', 119), ('L', 96), ('I', 96), ('Q', 91), ('E', 85), ('R', 78), ('V', 78), ('N', 52), ('K', 42), ('H', 27), ('G', 26), ('Y', 23), ('F', 12), ('W', 5), ('C', 2)]\n",
      "493  0.56  0.84 [('E', 549), ('A', 230), ('M', 207), ('D', 199), ('P', 147), ('V', 106), ('H', 105), ('L', 100), ('S', 83), ('T', 72), ('Q', 62), ('Y', 47), ('I', 46), ('K', 43), ('N', 41), ('F', 35), ('R', 30), ('G', 27), ('C', 5), ('W', 3)]\n",
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      "495  0.61  0.85 [('A', 490), ('K', 253), ('Q', 231), ('D', 218), ('E', 197), ('R', 169), ('T', 155), ('P', 135), ('S', 133), ('M', 74), ('N', 69), ('L', 54), ('G', 51), ('V', 41), ('H', 28), ('I', 27), ('F', 17), ('Y', 7), ('W', 5)]\n",
      "496  0.67  0.70 [('L', 692), ('I', 515), ('V', 384), ('M', 361), ('A', 215), ('T', 91), ('S', 48), ('F', 45), ('W', 42), ('P', 30), ('H', 25), ('Y', 23), ('R', 21), ('D', 18), ('Q', 12), ('C', 12), ('G', 11), ('K', 9), ('E', 7), ('N', 6)]\n",
      "497  0.00  0.37 [('R', 1), ('E', 1), ('D', 1)]\n",
      "498  0.73  0.86 [('L', 696), ('V', 273), ('T', 263), ('M', 237), ('I', 197), ('R', 177), ('A', 160), ('H', 123), ('Q', 107), ('K', 83), ('S', 82), ('P', 72), ('E', 69), ('F', 67), ('Y', 58), ('D', 37), ('C', 35), ('G', 26), ('N', 23), ('W', 11)]\n",
      "499  0.75  0.81 [('A', 594), ('D', 467), ('E', 328), ('S', 283), ('N', 174), ('Q', 172), ('K', 169), ('T', 161), ('R', 144), ('M', 101), ('P', 80), ('G', 65), ('H', 42), ('V', 37), ('L', 33), ('I', 11), ('F', 5), ('Y', 4), ('W', 2), ('C', 1)]\n",
      "500  0.77  0.89 [('A', 459), ('W', 395), ('Y', 293), ('T', 255), ('R', 216), ('S', 203), ('L', 192), ('P', 164), ('F', 145), ('Q', 114), ('D', 95), ('M', 78), ('H', 67), ('K', 57), ('G', 54), ('E', 51), ('V', 50), ('I', 42), ('N', 23), ('C', 5)]\n",
      "501  0.00  0.17 [('M', 4), ('I', 1)]\n",
      "502  0.81  0.75 [('A', 800), ('L', 666), ('V', 397), ('I', 378), ('M', 210), ('T', 114), ('N', 104), ('F', 88), ('S', 75), ('Q', 45), ('P', 38), ('D', 37), ('E', 33), ('R', 29), ('K', 28), ('G', 27), ('H', 26), ('C', 16), ('Y', 5), ('W', 5)]\n",
      "503  0.80  0.83 [('D', 511), ('E', 505), ('A', 421), ('Q', 364), ('R', 246), ('T', 173), ('K', 166), ('S', 144), ('N', 136), ('G', 80), ('P', 72), ('M', 48), ('H', 45), ('L', 41), ('I', 40), ('V', 31), ('W', 30), ('F', 8), ('Y', 7), ('C', 3)]\n",
      "504  0.80  0.89 [('A', 547), ('Q', 294), ('L', 278), ('S', 246), ('F', 218), ('E', 210), ('G', 205), ('D', 164), ('K', 157), ('T', 152), ('M', 120), ('R', 107), ('I', 93), ('V', 90), ('N', 84), ('P', 69), ('H', 29), ('C', 3), ('Y', 2), ('W', 1)]\n",
      "505  0.06  0.26 [('P', 200), ('A', 8), ('D', 5), ('S', 5), ('K', 4), ('R', 4), ('G', 3), ('E', 3), ('L', 2), ('H', 2), ('T', 2)]\n",
      "506  0.06  0.11 [('F', 218), ('L', 19), ('M', 1), ('R', 1)]\n",
      "507  0.82  0.85 [('D', 494), ('Q', 384), ('R', 337), ('N', 334), ('E', 317), ('H', 298), ('S', 224), ('A', 169), ('Y', 111), ('K', 106), ('L', 92), ('T', 79), ('M', 69), ('V', 40), ('G', 36), ('P', 17), ('I', 16), ('C', 13), ('W', 8), ('F', 5)]\n",
      "508  0.89  0.85 [('L', 634), ('Q', 572), ('A', 296), ('S', 285), ('R', 285), ('K', 246), ('E', 190), ('T', 185), ('V', 124), ('M', 117), ('H', 91), ('Y', 76), ('N', 75), ('D', 56), ('P', 51), ('G', 44), ('I', 38), ('F', 31), ('C', 6)]\n",
      "509  0.90  0.76 [('E', 649), ('D', 614), ('P', 542), ('A', 436), ('Q', 361), ('S', 199), ('G', 156), ('K', 116), ('N', 106), ('T', 103), ('M', 47), ('R', 43), ('H', 24), ('L', 21), ('V', 17), ('Y', 9), ('I', 5)]\n",
      "510  0.90  0.77 [('A', 846), ('E', 706), ('D', 342), ('R', 308), ('P', 294), ('Q', 211), ('T', 185), ('S', 144), ('L', 77), ('G', 70), ('H', 61), ('N', 57), ('K', 50), ('V', 46), ('M', 30), ('I', 19), ('W', 10), ('F', 8), ('Y', 3), ('C', 3)]\n",
      "511  0.99  0.64 [('M', 1615), ('L', 548), ('I', 383), ('Y', 351), ('A', 272), ('F', 166), ('V', 146), ('S', 89), ('T', 75), ('Q', 48), ('D', 29), ('G', 19), ('N', 18), ('W', 18), ('E', 13), ('H', 10), ('P', 2), ('R', 1)]\n",
      "512  0.99  0.49 [('L', 2165), ('I', 598), ('V', 537), ('E', 97), ('T', 86), ('R', 82), ('F', 59), ('M', 54), ('A', 30), ('Q', 30), ('K', 26), ('H', 14), ('C', 9), ('Y', 8), ('N', 6), ('S', 5), ('P', 2), ('G', 1)]\n",
      "513  0.99  0.70 [('A', 1120), ('D', 718), ('E', 660), ('K', 275), ('Q', 239), ('S', 210), ('R', 143), ('T', 116), ('G', 113), ('N', 91), ('H', 55), ('P', 21), ('L', 16), ('V', 12), ('Y', 6), ('M', 5), ('F', 5), ('I', 3), ('C', 3)]\n",
      "514  0.99  0.74 [('D', 1097), ('L', 726), ('E', 367), ('G', 338), ('T', 319), ('R', 263), ('Q', 220), ('F', 135), ('A', 85), ('S', 55), ('H', 53), ('M', 42), ('V', 28), ('C', 24), ('N', 21), ('K', 14), ('Y', 10), ('W', 7), ('I', 4), ('P', 3)]\n",
      "515  0.99  0.37 [('L', 2687), ('I', 469), ('V', 266), ('T', 120), ('F', 101), ('W', 55), ('A', 43), ('M', 38), ('C', 18), ('S', 6), ('H', 4), ('Y', 4), ('G', 1)]\n",
      "516  0.99  0.68 [('E', 1171), ('R', 1007), ('K', 404), ('A', 296), ('Q', 257), ('L', 170), ('H', 92), ('I', 89), ('G', 80), ('S', 64), ('V', 56), ('T', 35), ('M', 32), ('F', 20), ('C', 18), ('D', 15), ('N', 4), ('Y', 1), ('W', 1)]\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
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      "518  0.99  0.49 [('L', 2079), ('W', 815), ('V', 200), ('I', 177), ('Y', 157), ('M', 152), ('F', 86), ('S', 60), ('A', 45), ('T', 36), ('C', 6), ('H', 2)]\n",
      "519  0.99  0.33 [('V', 2836), ('I', 335), ('A', 254), ('S', 127), ('T', 120), ('C', 107), ('L', 27), ('M', 7), ('N', 1), ('G', 1)]\n",
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      "521  0.99  0.62 [('I', 1684), ('C', 608), ('V', 384), ('L', 284), ('T', 247), ('Q', 160), ('M', 114), ('A', 105), ('H', 103), ('R', 60), ('F', 22), ('K', 22), ('Y', 9), ('S', 8), ('E', 5), ('W', 3)]\n",
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      "523  0.99  0.24 [('S', 2969), ('T', 609), ('C', 172), ('G', 50), ('A', 15), ('M', 1), ('Q', 1), ('R', 1), ('D', 1)]\n",
      "524  0.99  0.44 [('G', 1688), ('P', 1591), ('F', 138), ('Y', 73), ('N', 72), ('H', 70), ('S', 51), ('E', 44), ('A', 38), ('W', 16), ('V', 12), ('Q', 6), ('L', 6), ('C', 4), ('D', 4), ('R', 3), ('T', 2), ('I', 1)]\n",
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      "528  0.99  0.89 [('G', 546), ('Y', 451), ('R', 406), ('A', 294), ('D', 268), ('S', 260), ('L', 230), ('H', 228), ('T', 211), ('F', 170), ('K', 168), ('E', 147), ('N', 128), ('M', 115), ('W', 95), ('Q', 77), ('P', 17), ('V', 6), ('C', 4), ('I', 1)]\n",
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      "563  0.96  0.78 [('L', 935), ('F', 708), ('A', 487), ('R', 293), ('E', 239), ('Y', 223), ('T', 161), ('V', 110), ('S', 77), ('G', 75), ('D', 68), ('M', 62), ('K', 61), ('Q', 54), ('C', 54), ('H', 33), ('W', 21), ('I', 19), ('N', 16), ('P', 5)]\n",
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      "567  0.81  0.82 [('A', 724), ('R', 542), ('E', 306), ('L', 252), ('Q', 210), ('K', 169), ('P', 164), ('D', 138), ('S', 129), ('V', 84), ('H', 84), ('G', 68), ('T', 64), ('N', 50), ('I', 40), ('Y', 34), ('M', 26), ('C', 7), ('F', 7), ('W', 3)]\n",
      "568  0.04  0.23 [('L', 120), ('T', 6), ('F', 5), ('I', 4), ('V', 3), ('A', 1), ('R', 1), ('M', 1)]\n",
      "569  0.00  0.41 [('A', 6), ('R', 1), ('D', 1), ('E', 1), ('G', 1)]\n",
      "570  0.01  0.63 [('T', 24), ('A', 9), ('E', 8), ('S', 3), ('Q', 2), ('G', 2), ('L', 2), ('R', 2), ('W', 2), ('I', 1), ('V', 1), ('D', 1)]\n",
      "571  0.01  0.45 [('R', 31), ('A', 12), ('E', 8), ('D', 2), ('V', 1), ('G', 1), ('P', 1), ('T', 1)]\n",
      "572  0.01  0.57 [('L', 27), ('R', 9), ('G', 7), ('Y', 3), ('H', 3), ('S', 2), ('A', 2), ('I', 2), ('E', 1), ('V', 1)]\n",
      "573  0.96  0.52 [('L', 2275), ('I', 329), ('A', 291), ('M', 180), ('T', 115), ('H', 100), ('V', 82), ('D', 74), ('E', 59), ('F', 47), ('Q', 36), ('G', 22), ('S', 22), ('R', 16), ('Y', 11), ('C', 10), ('P', 10), ('N', 9), ('W', 4), ('K', 4)]\n",
      "574  0.01  0.64 [('G', 13), ('P', 8), ('S', 7), ('A', 5), ('T', 3), ('N', 3), ('E', 2), ('L', 1), ('Q', 1)]\n",
      "575  0.99  0.27 [('G', 3104), ('P', 333), ('D', 99), ('A', 71), ('N', 42), ('S', 33), ('E', 32), ('Q', 25), ('R', 18), ('L', 13), ('H', 11), ('K', 7), ('T', 4), ('M', 3), ('C', 2), ('I', 1), ('V', 1)]\n",
      "576  0.00  0.47 [('A', 4), ('P', 3), ('D', 1), ('G', 1), ('L', 1)]\n",
      "577  1.00  0.77 [('A', 978), ('F', 743), ('G', 621), ('I', 228), ('V', 221), ('L', 215), ('W', 151), ('R', 100), ('M', 77), ('E', 76), ('T', 71), ('D', 67), ('C', 63), ('P', 62), ('S', 52), ('Y', 51), ('Q', 21), ('K', 18), ('H', 9), ('N', 1)]\n",
      "578  0.00  0.00 [('K', 1)]\n",
      "579  0.00  0.00 [('A', 1)]\n",
      "580  0.00  0.00 [('V', 1)]\n",
      "581  0.00  0.00 [('F', 1)]\n",
      "582  0.00  0.00 [('I', 1)]\n",
      "583  0.00  0.00 [('K', 1)]\n",
      "584  0.00  0.00 [('T', 1)]\n",
      "585  0.00  0.00 [('A', 1)]\n",
      "586  0.00  0.00 [('D', 1)]\n",
      "587  0.00  0.00 [('E', 1)]\n",
      "588  0.00  0.00 [('A', 1)]\n",
      "589  0.00  0.00 [('G', 1)]\n",
      "590  0.00  0.00 [('F', 1)]\n",
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      "594  0.98  0.64 [('E', 1801), ('R', 387), ('T', 348), ('Q', 213), ('K', 171), ('D', 162), ('S', 162), ('A', 158), ('H', 110), ('V', 107), ('I', 35), ('N', 28), ('G', 25), ('Y', 22), ('L', 10), ('W', 10), ('C', 6), ('M', 4), ('F', 4), ('P', 2)]\n",
      "595  0.99  0.73 [('R', 1337), ('L', 528), ('T', 367), ('V', 321), ('W', 312), ('I', 253), ('E', 141), ('F', 102), ('A', 88), ('S', 68), ('K', 65), ('Y', 45), ('Q', 42), ('P', 33), ('M', 33), ('H', 31), ('C', 11), ('G', 7), ('N', 5), ('D', 4)]\n",
      "596  0.92  0.71 [('I', 1008), ('V', 881), ('L', 420), ('H', 239), ('E', 189), ('R', 177), ('T', 135), ('K', 92), ('Q', 78), ('D', 71), ('F', 68), ('S', 52), ('Y', 49), ('A', 36), ('M', 16), ('P', 12), ('N', 9), ('G', 4), ('C', 1)]\n",
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      "599  0.00  0.37 [('S', 1), ('D', 1), ('T', 1)]\n",
      "600  0.95  0.90 [('G', 597), ('L', 446), ('V', 385), ('P', 300), ('I', 269), ('A', 214), ('M', 200), ('H', 189), ('S', 148), ('Q', 134), ('R', 130), ('T', 114), ('F', 112), ('N', 111), ('E', 81), ('C', 77), ('Y', 53), ('D', 51), ('K', 26)]\n",
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      "605  0.04  0.55 [('I', 62), ('V', 36), ('Y', 12), ('A', 11), ('L', 5), ('T', 3), ('F', 2), ('M', 2), ('S', 2), ('P', 1), ('C', 1), ('N', 1), ('Q', 1)]\n",
      "606  0.00  0.23 [('A', 1), ('S', 1)]\n",
      "607  0.00  0.00 [('P', 2)]\n",
      "608  0.00  0.00 [('S', 2)]\n",
      "609  0.03  0.33 [('Y', 85), ('F', 18), ('T', 3), ('V', 3), ('S', 3), ('H', 2), ('D', 1), ('E', 1), ('L', 1)]\n",
      "610  0.05  0.48 [('R', 126), ('P', 26), ('D', 15), ('A', 8), ('K', 6), ('E', 5), ('V', 4), ('H', 4), ('G', 3), ('S', 2), ('Q', 1), ('Y', 1), ('L', 1), ('C', 1)]\n",
      "611  0.03  0.29 [('L', 71), ('M', 56), ('P', 2), ('A', 2), ('F', 1)]\n",
      "612  0.03  0.46 [('D', 75), ('E', 27), ('G', 7), ('H', 5), ('Q', 5), ('F', 5), ('A', 4), ('Y', 2), ('S', 1)]\n",
      "613  0.17  0.72 [('D', 152), ('T', 142), ('E', 120), ('S', 59), ('R', 46), ('A', 33), ('P', 27), ('Q', 23), ('G', 18), ('V', 15), ('L', 9), ('M', 4), ('I', 4), ('N', 3), ('C', 2), ('K', 2), ('H', 1)]\n",
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      "615  0.19  0.68 [('V', 185), ('P', 180), ('I', 154), ('A', 36), ('M', 28), ('G', 23), ('T', 21), ('E', 21), ('L', 21), ('D', 13), ('K', 13), ('Q', 5), ('S', 5), ('N', 4), ('R', 4), ('C', 1), ('Y', 1), ('F', 1), ('H', 1)]\n",
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      "617  0.13  0.72 [('A', 176), ('D', 64), ('P', 59), ('M', 46), ('G', 29), ('S', 25), ('T', 20), ('E', 19), ('R', 9), ('K', 8), ('N', 7), ('I', 6), ('H', 4), ('Q', 4), ('V', 4), ('C', 4), ('L', 3), ('Y', 1)]\n",
      "618  0.11  0.64 [('D', 190), ('A', 46), ('S', 43), ('E', 22), ('Q', 20), ('T', 19), ('N', 16), ('R', 14), ('G', 13), ('K', 12), ('H', 7), ('L', 3), ('P', 3), ('V', 2), ('Y', 1)]\n",
      "619  0.11  0.06 [('G', 400), ('P', 3), ('E', 2), ('C', 1), ('D', 1), ('N', 1), ('K', 1), ('L', 1), ('A', 1)]\n",
      "620  0.11  0.81 [('R', 86), ('E', 59), ('S', 41), ('T', 41), ('N', 34), ('D', 33), ('Q', 25), ('A', 24), ('K', 23), ('V', 17), ('H', 13), ('G', 6), ('C', 4), ('W', 3), ('I', 2), ('L', 2), ('Y', 2)]\n",
      "621  0.18  0.76 [('E', 204), ('V', 96), ('G', 88), ('T', 45), ('I', 45), ('A', 41), ('P', 38), ('L', 36), ('Q', 15), ('S', 14), ('R', 14), ('K', 12), ('D', 11), ('M', 10), ('W', 5), ('F', 4), ('H', 2), ('N', 1)]\n",
      "622  0.25  0.87 [('G', 181), ('V', 128), ('K', 105), ('A', 73), ('S', 73), ('T', 58), ('R', 55), ('E', 53), ('Q', 51), ('F', 46), ('I', 35), ('D', 26), ('L', 22), ('P', 18), ('H', 16), ('Y', 16), ('N', 7), ('M', 4), ('C', 4)]\n",
      "623  0.32  0.80 [('E', 262), ('A', 190), ('G', 151), ('V', 122), ('P', 88), ('I', 87), ('S', 73), ('T', 66), ('Q', 47), ('D', 45), ('L', 31), ('R', 30), ('K', 14), ('N', 9), ('H', 6), ('Y', 4), ('M', 3), ('F', 2), ('C', 1)]\n",
      "624  0.06  0.68 [('H', 77), ('Y', 41), ('A', 32), ('C', 25), ('R', 24), ('F', 19), ('L', 10), ('T', 6), ('Q', 5), ('V', 2), ('N', 2), ('K', 1), ('S', 1), ('E', 1), ('P', 1)]\n",
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      "626  0.65  0.80 [('G', 654), ('E', 329), ('N', 224), ('K', 190), ('A', 169), ('D', 165), ('T', 145), ('P', 144), ('Q', 141), ('R', 117), ('H', 56), ('S', 49), ('L', 42), ('V', 24), ('I', 18), ('F', 9), ('Y', 3), ('M', 3)]\n",
      "627  0.69  0.86 [('R', 364), ('F', 361), ('Y', 308), ('H', 259), ('L', 249), ('A', 228), ('T', 163), ('C', 144), ('V', 134), ('G', 110), ('S', 68), ('I', 64), ('N', 54), ('K', 38), ('W', 29), ('Q', 24), ('M', 22), ('E', 9), ('P', 9), ('D', 7)]\n",
      "628  0.00  0.23 [('C', 1), ('D', 1)]\n",
      "629  0.83  0.27 [('G', 2522), ('A', 406), ('S', 93), ('P', 36), ('F', 31), ('T', 30), ('N', 14), ('V', 11), ('D', 10), ('L', 8), ('C', 8), ('R', 4), ('E', 4), ('Y', 3), ('I', 2), ('K', 1)]\n",
      "630  0.86  0.66 [('D', 1238), ('G', 492), ('N', 446), ('P', 404), ('R', 147), ('T', 146), ('S', 85), ('Q', 82), ('K', 79), ('A', 57), ('V', 44), ('E', 30), ('H', 29), ('I', 13), ('C', 3), ('L', 3), ('M', 3), ('Y', 2), ('W', 1)]\n",
      "631  0.96  0.68 [('H', 1622), ('V', 333), ('A', 320), ('C', 258), ('I', 200), ('N', 200), ('M', 140), ('T', 139), ('S', 124), ('G', 123), ('L', 88), ('Q', 69), ('R', 27), ('D', 22), ('Y', 14), ('P', 7), ('F', 3), ('E', 2), ('W', 1), ('K', 1)]\n",
      "632  0.99  0.40 [('L', 2429), ('V', 742), ('I', 353), ('R', 83), ('F', 59), ('M', 57), ('A', 34), ('Y', 16), ('W', 11), ('E', 8), ('H', 8), ('T', 7), ('C', 4), ('S', 3), ('K', 3), ('N', 2), ('P', 2), ('Q', 2)]\n",
      "633  0.01  0.38 [('L', 32), ('H', 9), ('Y', 5), ('M', 1), ('W', 1), ('K', 1), ('E', 1)]\n",
      "634  0.01  0.28 [('F', 34), ('Y', 12), ('L', 3), ('H', 1)]\n",
      "635  0.01  0.71 [('T', 14), ('L', 7), ('S', 7), ('R', 6), ('K', 5), ('I', 3), ('Q', 2), ('H', 2), ('A', 1), ('V', 1), ('C', 1), ('D', 1)]\n",
      "636  0.01  0.24 [('S', 39), ('T', 7), ('A', 3), ('G', 1)]\n",
      "637  0.01  0.73 [('P', 13), ('K', 8), ('A', 6), ('S', 5), ('N', 5), ('Q', 4), ('E', 2), ('L', 2), ('T', 2), ('Y', 1), ('R', 1), ('D', 1)]\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
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      "639  1.00  0.74 [('R', 935), ('V', 854), ('L', 420), ('I', 412), ('H', 272), ('E', 246), ('F', 144), ('K', 142), ('Y', 98), ('T', 78), ('Q', 70), ('A', 53), ('S', 51), ('D', 26), ('M', 15), ('C', 6), ('G', 4), ('W', 2), ('N', 2)]\n",
      "640  0.00  0.00 [('Y', 1)]\n",
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      "643  0.94  0.83 [('F', 859), ('L', 527), ('V', 404), ('Y', 257), ('H', 228), ('R', 210), ('N', 207), ('K', 158), ('I', 149), ('A', 121), ('T', 119), ('W', 117), ('G', 85), ('S', 52), ('P', 43), ('M', 39), ('Q', 22), ('C', 16), ('E', 5), ('D', 4)]\n",
      "644  0.17  0.48 [('R', 399), ('K', 124), ('Q', 27), ('P', 25), ('A', 24), ('N', 12), ('E', 10), ('D', 9), ('G', 8), ('H', 7), ('T', 6), ('S', 4), ('W', 2), ('I', 2), ('M', 1), ('V', 1), ('L', 1)]\n",
      "645  0.90  0.68 [('P', 1117), ('G', 806), ('K', 465), ('A', 215), ('E', 188), ('R', 163), ('T', 105), ('Q', 92), ('D', 76), ('S', 71), ('N', 52), ('H', 38), ('V', 25), ('L', 20), ('F', 9), ('M', 7), ('I', 4), ('Y', 2), ('C', 1)]\n",
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      "678  0.00  0.00 [('S', 4)]\n",
      "679  0.00  0.21 [('A', 2), ('P', 1)]\n",
      "680  0.00  0.21 [('H', 2), ('R', 1)]\n",
      "681  0.00  0.00 [('G', 3)]\n",
      "682  0.00  0.44 [('A', 2), ('G', 1), ('L', 1), ('E', 1)]\n",
      "683  0.00  0.17 [('A', 4), ('T', 1)]\n",
      "684  0.02  0.76 [('G', 19), ('L', 14), ('D', 10), ('A', 10), ('P', 9), ('E', 7), ('Q', 3), ('S', 2), ('I', 2), ('T', 2), ('H', 2), ('R', 1), ('C', 1), ('Y', 1), ('M', 1)]\n",
      "685  0.01  0.57 [('G', 8), ('S', 5), ('A', 4), ('D', 4), ('T', 3), ('P', 2)]\n",
      "686  0.03  0.71 [('G', 24), ('V', 20), ('A', 17), ('T', 14), ('S', 6), ('D', 6), ('E', 3), ('R', 2), ('H', 2), ('I', 1), ('P', 1), ('K', 1), ('Q', 1), ('L', 1), ('N', 1)]\n",
      "687  0.02  0.76 [('A', 13), ('R', 11), ('G', 10), ('P', 8), ('T', 7), ('K', 4), ('S', 3), ('Q', 3), ('D', 3), ('L', 3), ('N', 1), ('I', 1), ('V', 1)]\n",
      "688  0.17  0.63 [('G', 271), ('A', 122), ('E', 73), ('D', 36), ('P', 30), ('S', 22), ('R', 17), ('V', 16), ('N', 13), ('T', 13), ('Q', 10), ('H', 7), ('I', 3), ('C', 2), ('L', 2)]\n",
      "689  0.16  0.71 [('G', 240), ('A', 57), ('D', 56), ('S', 50), ('E', 37), ('T', 34), ('R', 28), ('N', 27), ('P', 25), ('K', 17), ('H', 11), ('V', 10), ('Q', 7), ('L', 4), ('M', 4), ('C', 2), ('F', 1)]\n",
      "690  0.28  0.82 [('G', 233), ('A', 128), ('D', 127), ('R', 86), ('K', 82), ('E', 78), ('N', 78), ('P', 59), ('S', 57), ('T', 52), ('Q', 47), ('L', 24), ('H', 17), ('V', 13), ('M', 4), ('I', 4), ('F', 1), ('Y', 1), ('C', 1)]\n",
      "691  0.29  0.78 [('G', 307), ('S', 126), ('N', 94), ('A', 88), ('Q', 87), ('D', 76), ('P', 73), ('T', 73), ('K', 58), ('E', 38), ('R', 35), ('H', 14), ('L', 10), ('V', 8), ('Y', 3), ('C', 3), ('M', 2), ('F', 1)]\n",
      "692  0.69  0.81 [('A', 516), ('G', 418), ('E', 299), ('D', 265), ('K', 240), ('P', 196), ('S', 130), ('T', 129), ('N', 123), ('Q', 97), ('R', 88), ('L', 63), ('V', 23), ('I', 18), ('H', 15), ('M', 9), ('C', 8), ('F', 3), ('W', 1), ('Y', 1)]\n",
      "693  0.66  0.81 [('G', 520), ('P', 367), ('E', 287), ('K', 255), ('A', 221), ('R', 180), ('D', 167), ('Q', 137), ('N', 105), ('H', 96), ('T', 77), ('S', 59), ('V', 31), ('L', 30), ('I', 5), ('M', 5), ('Y', 4), ('F', 4), ('C', 2)]\n",
      "694  0.99  0.75 [('P', 1035), ('R', 635), ('K', 604), ('A', 333), ('G', 313), ('V', 117), ('Q', 109), ('I', 103), ('T', 92), ('Y', 88), ('E', 86), ('S', 85), ('L', 69), ('D', 46), ('F', 38), ('H', 16), ('N', 13), ('M', 7), ('C', 5), ('W', 3)]\n",
      "695  0.99  0.74 [('R', 1081), ('K', 605), ('G', 485), ('P', 441), ('Q', 267), ('D', 234), ('T', 152), ('H', 124), ('S', 101), ('N', 94), ('A', 65), ('E', 44), ('V', 33), ('F', 19), ('L', 18), ('Y', 16), ('I', 15), ('C', 5), ('W', 4), ('M', 2)]\n",
      "696  1.00  0.46 [('V', 1554), ('I', 1428), ('L', 533), ('F', 103), ('M', 65), ('A', 47), ('Q', 40), ('T', 32), ('Y', 15), ('C', 5), ('S', 3), ('R', 2), ('P', 2), ('W', 1), ('E', 1), ('D', 1)]\n",
      "697  1.00  0.33 [('L', 2873), ('M', 345), ('V', 282), ('I', 94), ('A', 88), ('F', 84), ('T', 29), ('G', 10), ('Q', 8), ('C', 7), ('S', 7), ('Y', 7), ('N', 1), ('W', 1)]\n",
      "698  1.00  0.40 [('L', 2383), ('V', 535), ('I', 498), ('F', 234), ('M', 141), ('A', 19), ('S', 12), ('C', 7), ('T', 4), ('G', 3), ('H', 1)]\n",
      "699  1.00  0.61 [('L', 1499), ('I', 717), ('M', 419), ('V', 365), ('T', 314), ('A', 183), ('S', 182), ('C', 79), ('N', 36), ('F', 19), ('G', 12), ('Q', 10), ('P', 1), ('R', 1), ('E', 1)]\n",
      "700  1.00  0.39 [('G', 2438), ('A', 732), ('S', 249), ('C', 215), ('T', 78), ('V', 45), ('I', 39), ('N', 30), ('M', 8), ('L', 4)]\n",
      "701  1.00  0.00 [('H', 3836), ('Q', 1), ('R', 1)]\n",
      "702  1.00  0.65 [('M', 1230), ('L', 871), ('H', 503), ('Y', 485), ('R', 181), ('F', 167), ('A', 95), ('I', 79), ('V', 68), ('Q', 51), ('T', 33), ('C', 33), ('S', 27), ('N', 14), ('P', 1)]\n",
      "703  1.00  0.00 [('D', 3834), ('E', 2), ('S', 1), ('N', 1)]\n",
      "704  1.00  0.01 [('T', 3818), ('V', 7), ('C', 7), ('S', 2), ('G', 1), ('N', 1), ('I', 1), ('R', 1)]\n",
      "705  1.00  0.02 [('V', 3815), ('A', 8), ('I', 6), ('P', 3), ('Y', 2), ('S', 2), ('M', 1), ('G', 1)]\n",
      "706  1.00  0.48 [('F', 1592), ('W', 1188), ('H', 496), ('Y', 424), ('K', 26), ('T', 25), ('C', 21), ('E', 12), ('S', 11), ('P', 9), ('N', 6), ('A', 6), ('R', 5), ('Q', 5), ('V', 4), ('G', 2), ('L', 2), ('I', 2), ('M', 1), ('D', 1)]\n",
      "707  1.00  0.45 [('P', 2565), ('E', 353), ('A', 210), ('G', 153), ('D', 127), ('K', 120), ('L', 117), ('S', 67), ('Q', 54), ('R', 25), ('T', 21), ('N', 12), ('V', 7), ('H', 3), ('I', 2), ('Y', 1), ('F', 1)]\n",
      "708  1.00  0.84 [('V', 599), ('K', 476), ('A', 446), ('L', 371), ('E', 348), ('P', 341), ('I', 339), ('T', 199), ('R', 161), ('H', 140), ('D', 115), ('M', 91), ('G', 67), ('Q', 60), ('S', 36), ('N', 33), ('C', 11), ('F', 5)]\n",
      "709  0.00  0.23 [('D', 2), ('H', 2)]\n",
      "710  0.00  0.35 [('E', 2), ('R', 1), ('A', 1)]\n",
      "711  1.00  0.29 [('G', 2944), ('D', 545), ('N', 115), ('E', 71), ('S', 43), ('T', 26), ('H', 21), ('A', 15), ('K', 14), ('Q', 12), ('I', 10), ('R', 6), ('P', 4), ('L', 4), ('C', 2), ('V', 1)]\n",
      "712  0.97  0.55 [('T', 1929), ('S', 692), ('H', 285), ('E', 271), ('M', 162), ('A', 88), ('F', 62), ('D', 59), ('I', 56), ('V', 39), ('R', 29), ('N', 21), ('L', 11), ('G', 11), ('Q', 10), ('K', 6), ('Y', 5), ('C', 2)]\n",
      "713  0.99  0.62 [('L', 1581), ('A', 677), ('P', 553), ('V', 266), ('I', 252), ('F', 96), ('T', 93), ('G', 83), ('S', 67), ('D', 25), ('W', 18), ('N', 17), ('H', 16), ('E', 16), ('K', 15), ('M', 10), ('Q', 7), ('R', 6), ('Y', 5), ('C', 1)]\n",
      "714  0.68  0.68 [('A', 841), ('F', 676), ('E', 318), ('K', 162), ('D', 82), ('T', 79), ('G', 77), ('Q', 69), ('S', 64), ('I', 59), ('V', 47), ('L', 33), ('R', 32), ('N', 32), ('P', 15), ('M', 8), ('H', 2)]\n",
      "715  0.00  0.00 [('A', 2)]\n",
      "716  0.00  0.00 [('S', 2)]\n",
      "717  0.35  0.69 [('A', 504), ('E', 220), ('R', 137), ('D', 125), ('G', 82), ('K', 69), ('T', 55), ('S', 53), ('Q', 34), ('N', 19), ('P', 18), ('V', 14), ('H', 14), ('L', 14), ('I', 2), ('M', 2), ('Y', 1), ('F', 1)]\n",
      "718  0.75  0.78 [('R', 546), ('E', 480), ('K', 399), ('T', 330), ('D', 260), ('A', 241), ('Q', 146), ('S', 136), ('G', 115), ('P', 52), ('V', 48), ('H', 34), ('N', 25), ('L', 20), ('F', 16), ('I', 11), ('Y', 4), ('C', 3), ('M', 2), ('W', 1)]\n",
      "719  0.96  0.72 [('R', 1068), ('Q', 792), ('L', 444), ('W', 339), ('H', 249), ('M', 236), ('N', 115), ('I', 94), ('P', 80), ('E', 71), ('T', 44), ('K', 33), ('A', 31), ('F', 24), ('V', 24), ('D', 23), ('Y', 12), ('S', 8), ('C', 5), ('G', 2)]\n",
      "720  1.00  0.45 [('P', 2704), ('T', 201), ('K', 152), ('S', 113), ('A', 105), ('G', 105), ('E', 105), ('Q', 72), ('R', 72), ('D', 46), ('I', 35), ('V', 33), ('L', 29), ('H', 25), ('N', 20), ('M', 6), ('F', 3), ('Y', 3), ('W', 2), ('C', 1)]\n",
      "721  1.00  0.58 [('F', 2005), ('W', 452), ('L', 306), ('Y', 300), ('V', 185), ('I', 169), ('M', 124), ('C', 86), ('Q', 76), ('A', 36), ('T', 31), ('P', 29), ('S', 13), ('G', 7), ('H', 5), ('N', 5), ('R', 3), ('E', 3), ('K', 2), ('D', 1)]\n",
      "722  0.00  0.21 [('T', 2), ('N', 1)]\n",
      "723  0.00  0.21 [('L', 2), ('S', 1)]\n",
      "724  1.00  0.68 [('R', 1397), ('T', 656), ('S', 519), ('K', 344), ('E', 221), ('A', 165), ('H', 143), ('Q', 92), ('V', 82), ('G', 46), ('P', 35), ('D', 28), ('L', 24), ('Y', 19), ('C', 15), ('I', 15), ('M', 13), ('N', 12), ('F', 6), ('W', 3)]\n",
      "725  1.00  0.74 [('V', 1080), ('I', 821), ('R', 560), ('E', 232), ('W', 225), ('L', 172), ('Q', 119), ('M', 106), ('T', 97), ('D', 85), ('Y', 77), ('F', 50), ('A', 48), ('K', 41), ('N', 31), ('H', 30), ('P', 15), ('S', 14), ('G', 14), ('C', 13)]\n",
      "726  0.65  0.75 [('E', 779), ('D', 403), ('L', 252), ('R', 188), ('V', 168), ('A', 130), ('T', 129), ('I', 118), ('G', 74), ('K', 69), ('Q', 66), ('S', 53), ('N', 37), ('H', 24), ('M', 10), ('P', 7), ('W', 7), ('Y', 1), ('F', 1), ('C', 1)]\n",
      "727  0.00  0.64 [('E', 4), ('Q', 2), ('R', 1), ('H', 1), ('Y', 1), ('A', 1), ('V', 1), ('M', 1)]\n",
      "728  0.00  0.57 [('L', 5), ('R', 2), ('Y', 1), ('V', 1), ('A', 1), ('Q', 1), ('K', 1)]\n",
      "729  0.00  0.00 [('E', 1)]\n",
      "730  0.00  0.21 [('K', 2), ('N', 1)]\n",
      "731  0.03  0.55 [('V', 38), ('I', 33), ('L', 8), ('T', 4), ('E', 3), ('A', 3), ('R', 3), ('D', 2), ('P', 1), ('S', 1), ('Y', 1), ('K', 1)]\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "732  0.35  0.62 [('D', 483), ('E', 348), ('K', 179), ('I', 96), ('R', 58), ('Q', 45), ('A', 36), ('V', 29), ('N', 17), ('H', 15), ('T', 13), ('S', 11), ('P', 5), ('G', 3), ('M', 2), ('L', 2), ('F', 1), ('C', 1)]\n",
      "733  0.52  0.50 [('G', 944), ('D', 572), ('E', 203), ('N', 96), ('A', 73), ('S', 29), ('R', 24), ('P', 19), ('K', 18), ('T', 12), ('Q', 9), ('V', 5), ('M', 1), ('I', 1)]\n",
      "734  0.00  0.23 [('G', 1), ('M', 1)]\n",
      "735  0.00  0.23 [('H', 1), ('R', 1)]\n",
      "736  0.00  0.23 [('G', 1), ('M', 1)]\n",
      "737  0.00  0.00 [('N', 1)]\n",
      "738  0.00  0.00 [('P', 1)]\n",
      "739  0.00  0.00 [('S', 1)]\n",
      "740  0.00  0.00 [('G', 1)]\n",
      "741  0.13  0.53 [('G', 216), ('D', 113), ('N', 82), ('S', 24), ('E', 19), ('A', 9), ('T', 7), ('P', 3), ('V', 3), ('K', 2), ('R', 2), ('Q', 2), ('H', 2), ('F', 1)]\n",
      "742  0.00  0.30 [('D', 10), ('S', 2), ('V', 1), ('E', 1)]\n",
      "743  0.01  0.59 [('D', 21), ('E', 8), ('P', 5), ('A', 5), ('G', 4), ('V', 2), ('Q', 1), ('T', 1), ('R', 1), ('S', 1)]\n",
      "744  0.16  0.68 [('D', 157), ('G', 153), ('E', 105), ('N', 73), ('T', 41), ('K', 27), ('S', 22), ('A', 12), ('Q', 12), ('V', 7), ('H', 6), ('R', 5), ('L', 3), ('M', 3), ('F', 2), ('I', 1)]\n",
      "745  0.06  0.68 [('G', 83), ('D', 30), ('N', 27), ('E', 24), ('S', 14), ('A', 8), ('K', 7), ('Q', 6), ('T', 5), ('P', 5), ('H', 4), ('R', 4), ('V', 2), ('C', 1)]\n",
      "746  0.11  0.57 [('D', 160), ('G', 109), ('N', 93), ('E', 21), ('K', 10), ('S', 9), ('A', 9), ('P', 8), ('T', 7), ('R', 6), ('H', 4), ('V', 2), ('I', 1)]\n",
      "747  0.19  0.58 [('D', 345), ('E', 100), ('G', 88), ('A', 61), ('P', 46), ('S', 21), ('N', 21), ('Q', 12), ('T', 9), ('K', 8), ('R', 4), ('V', 3), ('H', 2), ('C', 1), ('L', 1), ('I', 1)]\n",
      "748  0.40  0.56 [('G', 641), ('D', 446), ('N', 124), ('E', 89), ('R', 72), ('A', 51), ('S', 25), ('Q', 23), ('Y', 19), ('T', 18), ('H', 10), ('V', 4), ('K', 4), ('P', 3), ('I', 2), ('L', 2), ('F', 1)]\n",
      "749  0.66  0.58 [('G', 967), ('D', 789), ('S', 191), ('N', 190), ('E', 161), ('T', 63), ('A', 42), ('K', 39), ('R', 26), ('H', 24), ('Q', 19), ('P', 18), ('M', 11), ('V', 7), ('L', 5)]\n",
      "750  0.00  0.23 [('E', 1), ('G', 1)]\n",
      "751  1.00  0.69 [('R', 1374), ('K', 651), ('V', 486), ('T', 375), ('I', 320), ('L', 147), ('H', 79), ('W', 62), ('S', 61), ('A', 49), ('Q', 46), ('M', 31), ('E', 30), ('Y', 27), ('F', 26), ('D', 26), ('C', 22), ('N', 18), ('G', 5)]\n",
      "752  1.00  0.51 [('A', 1860), ('L', 891), ('I', 352), ('V', 327), ('C', 170), ('G', 107), ('F', 52), ('M', 51), ('Q', 13), ('Y', 7), ('T', 2), ('W', 2), ('R', 2), ('S', 1)]\n",
      "753  1.00  0.67 [('Y', 1536), ('R', 520), ('T', 475), ('N', 327), ('F', 262), ('S', 195), ('H', 188), ('K', 82), ('E', 37), ('D', 35), ('W', 34), ('G', 31), ('V', 31), ('I', 30), ('A', 20), ('L', 14), ('M', 8), ('C', 7), ('Q', 5), ('P', 1)]\n",
      "754  1.00  0.07 [('G', 3661), ('A', 101), ('T', 70), ('S', 2), ('C', 1), ('P', 1), ('E', 1)]\n",
      "755  1.00  0.13 [('P', 3535), ('L', 146), ('Q', 61), ('I', 60), ('V', 13), ('A', 11), ('R', 8), ('G', 1), ('C', 1), ('S', 1)]\n",
      "756  1.00  0.04 [('G', 3756), ('L', 71), ('A', 10), ('S', 1)]\n",
      "757  1.00  0.48 [('V', 2029), ('I', 829), ('C', 298), ('T', 221), ('A', 178), ('G', 125), ('S', 95), ('L', 61), ('N', 1), ('P', 1)]\n",
      "758  1.00  0.73 [('A', 980), ('F', 859), ('Y', 532), ('L', 262), ('S', 234), ('C', 181), ('M', 146), ('G', 144), ('N', 132), ('I', 132), ('V', 86), ('T', 63), ('Q', 49), ('D', 25), ('E', 7), ('H', 3), ('W', 2), ('K', 1)]\n",
      "759  1.00  0.00 [('D', 3837), ('N', 1)]\n",
      "760  1.00  0.26 [('M', 3010), ('D', 563), ('A', 91), ('L', 39), ('C', 32), ('T', 29), ('E', 28), ('N', 25), ('I', 14), ('S', 5), ('V', 1), ('G', 1)]\n",
      "761  1.00  0.08 [('K', 3657), ('L', 142), ('A', 11), ('R', 9), ('I', 7), ('Q', 6), ('G', 3), ('T', 1), ('V', 1), ('H', 1)]\n",
      "762  1.00  0.46 [('G', 1896), ('A', 1076), ('S', 431), ('T', 206), ('Q', 103), ('V', 28), ('L', 27), ('C', 23), ('H', 18), ('N', 12), ('I', 9), ('F', 6), ('P', 3)]\n",
      "763  1.00  0.08 [('G', 3643), ('S', 143), ('C', 28), ('N', 11), ('A', 6), ('T', 5), ('Q', 1), ('P', 1)]\n",
      "764  1.00  0.58 [('L', 1601), ('I', 852), ('V', 466), ('N', 345), ('A', 195), ('D', 99), ('T', 72), ('S', 56), ('M', 45), ('H', 44), ('Q', 27), ('G', 20), ('F', 6), ('C', 5), ('Y', 4), ('P', 1)]\n",
      "765  1.00  0.57 [('V', 1737), ('A', 761), ('L', 462), ('Y', 308), ('I', 210), ('F', 115), ('T', 79), ('S', 50), ('W', 39), ('M', 35), ('C', 16), ('N', 13), ('H', 5), ('R', 4), ('G', 2), ('D', 1), ('Q', 1)]\n",
      "766  1.00  0.72 [('Q', 763), ('V', 748), ('L', 532), ('M', 526), ('A', 416), ('I', 362), ('S', 121), ('T', 120), ('N', 93), ('F', 59), ('G', 42), ('E', 27), ('H', 17), ('C', 5), ('Y', 4), ('D', 2), ('P', 1)]\n",
      "767  1.00  0.68 [('A', 1169), ('I', 706), ('M', 505), ('G', 342), ('L', 340), ('N', 198), ('S', 194), ('V', 187), ('T', 104), ('F', 35), ('C', 23), ('Y', 15), ('P', 5), ('H', 5), ('D', 4), ('E', 4), ('Q', 1)]\n",
      "768  1.00  0.58 [('L', 1737), ('I', 537), ('V', 531), ('F', 472), ('M', 142), ('Y', 114), ('A', 77), ('W', 52), ('C', 51), ('H', 39), ('E', 39), ('T', 22), ('K', 7), ('S', 6), ('R', 5), ('Q', 4), ('G', 2), ('D', 1)]\n",
      "769  1.00  0.73 [('H', 1089), ('Y', 615), ('A', 416), ('E', 403), ('W', 389), ('F', 361), ('T', 151), ('Q', 88), ('S', 74), ('L', 63), ('G', 40), ('D', 33), ('N', 33), ('C', 23), ('K', 20), ('R', 12), ('V', 12), ('M', 12), ('I', 4)]\n",
      "770  1.00  0.29 [('A', 3034), ('V', 258), ('T', 178), ('G', 140), ('S', 128), ('L', 47), ('I', 32), ('M', 12), ('F', 5), ('C', 2), ('H', 2)]\n",
      "771  1.00  0.45 [('L', 2285), ('V', 488), ('I', 375), ('M', 261), ('A', 226), ('F', 141), ('T', 28), ('Y', 11), ('C', 10), ('S', 4), ('W', 1), ('Q', 1), ('P', 1), ('G', 1)]\n",
      "772  0.00  0.00 [('R', 1)]\n",
      "773  0.00  0.00 [('L', 1)]\n",
      "774  0.00  0.00 [('A', 1)]\n",
      "775  0.00  0.00 [('G', 1)]\n",
      "776  1.00  0.66 [('R', 1144), ('A', 833), ('K', 830), ('E', 269), ('Q', 169), ('S', 152), ('T', 108), ('L', 72), ('G', 72), ('M', 40), ('H', 37), ('D', 31), ('V', 19), ('N', 16), ('I', 13), ('W', 7), ('P', 7), ('C', 6), ('Y', 6), ('F', 1)]\n",
      "777  0.99  0.70 [('A', 1722), ('L', 405), ('Q', 215), ('S', 191), ('V', 184), ('I', 179), ('G', 165), ('T', 146), ('E', 134), ('M', 90), ('N', 80), ('R', 79), ('H', 72), ('D', 46), ('K', 38), ('C', 33), ('Y', 23), ('F', 10), ('W', 5)]\n",
      "778  0.99  0.41 [('L', 2576), ('F', 320), ('I', 313), ('V', 214), ('M', 166), ('A', 146), ('C', 23), ('Y', 15), ('S', 11), ('T', 10), ('N', 8), ('G', 4), ('R', 3), ('Q', 3), ('H', 1), ('E', 1)]\n",
      "779  0.94  0.87 [('K', 488), ('E', 483), ('Q', 411), ('A', 408), ('R', 389), ('D', 292), ('H', 200), ('L', 180), ('P', 124), ('I', 109), ('V', 90), ('S', 89), ('G', 81), ('T', 73), ('C', 62), ('N', 57), ('M', 29), ('Y', 28), ('F', 18), ('W', 1)]\n",
      "780  0.86  0.74 [('A', 732), ('E', 665), ('R', 503), ('K', 314), ('D', 308), ('Q', 236), ('S', 110), ('N', 105), ('T', 98), ('H', 67), ('P', 60), ('G', 45), ('L', 23), ('V', 14), ('Y', 11), ('F', 5), ('I', 4), ('M', 4), ('W', 2), ('C', 1)]\n",
      "781  0.03  0.82 [('R', 21), ('A', 20), ('H', 13), ('E', 12), ('Q', 11), ('T', 6), ('L', 5), ('S', 4), ('G', 4), ('P', 4), ('D', 3), ('N', 3), ('V', 2), ('K', 2), ('W', 1), ('C', 1), ('F', 1), ('M', 1)]\n",
      "782  0.63  0.79 [('A', 597), ('L', 470), ('S', 351), ('T', 152), ('Q', 148), ('N', 119), ('E', 92), ('V', 75), ('I', 66), ('R', 65), ('H', 60), ('D', 51), ('M', 50), ('K', 34), ('G', 29), ('F', 26), ('C', 22), ('Y', 21), ('P', 3), ('W', 3)]\n",
      "783  0.48  0.71 [('G', 753), ('P', 223), ('N', 163), ('D', 156), ('E', 94), ('K', 89), ('Q', 74), ('A', 65), ('V', 60), ('S', 54), ('H', 45), ('L', 28), ('T', 19), ('R', 13), ('F', 10), ('Y', 7), ('I', 5), ('C', 4), ('M', 1)]\n",
      "784  0.01  0.44 [('G', 20), ('D', 3), ('R', 2), ('P', 2), ('H', 1), ('V', 1), ('L', 1), ('Q', 1)]\n",
      "785  0.00  0.19 [('A', 3), ('G', 1)]\n",
      "786  0.00  0.35 [('A', 2), ('V', 1), ('Q', 1)]\n",
      "787  0.00  0.23 [('P', 1), ('K', 1)]\n",
      "788  0.00  0.43 [('A', 3), ('Q', 2), ('P', 1), ('G', 1)]\n",
      "789  0.06  0.75 [('Q', 53), ('A', 36), ('D', 32), ('T', 27), ('S', 19), ('R', 17), ('K', 16), ('E', 13), ('G', 7), ('L', 6), ('M', 4), ('H', 3), ('N', 2), ('V', 1)]\n",
      "790  0.00  0.00 [('G', 3)]\n",
      "791  0.00  0.00 [('A', 2)]\n",
      "792  0.00  0.41 [('D', 4), ('P', 3), ('R', 1), ('A', 1)]\n",
      "793  0.20  0.53 [('G', 472), ('D', 57), ('S', 54), ('A', 42), ('K', 38), ('P', 30), ('N', 29), ('R', 19), ('Q', 14), ('E', 9), ('L', 6), ('V', 5), ('T', 4), ('M', 1), ('H', 1), ('Y', 1), ('I', 1)]\n",
      "794  0.24  0.83 [('L', 226), ('I', 109), ('A', 98), ('V', 77), ('T', 64), ('R', 57), ('G', 51), ('F', 50), ('S', 48), ('D', 40), ('Q', 28), ('M', 19), ('H', 12), ('E', 12), ('N', 11), ('K', 10), ('P', 7), ('W', 4), ('Y', 2), ('C', 2)]\n",
      "795  0.29  0.82 [('G', 240), ('A', 154), ('R', 132), ('E', 120), ('T', 87), ('L', 76), ('Q', 59), ('P', 55), ('D', 45), ('K', 35), ('S', 32), ('V', 30), ('I', 21), ('F', 13), ('N', 10), ('H', 9), ('C', 4), ('M', 4), ('W', 2), ('Y', 2)]\n",
      "796  0.66  0.85 [('L', 517), ('T', 435), ('F', 307), ('P', 223), ('A', 148), ('W', 125), ('S', 109), ('G', 94), ('Y', 89), ('V', 84), ('R', 73), ('N', 66), ('K', 61), ('D', 56), ('E', 47), ('I', 38), ('Q', 29), ('M', 20), ('H', 14), ('C', 7)]\n",
      "797  0.13  0.58 [('P', 280), ('L', 68), ('A', 39), ('E', 16), ('V', 15), ('R', 14), ('K', 12), ('G', 10), ('Q', 9), ('S', 8), ('D', 8), ('T', 7), ('I', 6), ('H', 5), ('F', 4), ('M', 4), ('N', 1)]\n",
      "798  0.00  0.00 [('A', 1)]\n",
      "799  0.00  0.00 [('P', 1)]\n",
      "800  0.00  0.00 [('R', 1)]\n",
      "801  0.00  0.00 [('P', 1)]\n",
      "802  0.00  0.00 [('E', 1)]\n",
      "803  0.00  0.00 [('G', 1)]\n",
      "804  0.00  0.00 [('E', 1)]\n",
      "805  0.00  0.00 [('R', 1)]\n",
      "806  0.00  0.00 [('R', 1)]\n",
      "807  0.00  0.00 [('E', 1)]\n",
      "808  0.00  0.00 [('G', 1)]\n",
      "809  0.00  0.00 [('A', 1)]\n",
      "810  0.00  0.21 [('D', 2), ('R', 1)]\n",
      "811  0.00  0.35 [('P', 2), ('A', 1), ('L', 1)]\n",
      "812  0.00  0.35 [('G', 2), ('L', 1), ('S', 1)]\n",
      "813  0.00  0.21 [('A', 2), ('D', 1)]\n",
      "814  0.00  0.19 [('A', 3), ('G', 1)]\n",
      "815  0.00  0.35 [('L', 2), ('A', 1), ('P', 1)]\n",
      "816  0.00  0.46 [('E', 1), ('R', 1), ('G', 1), ('T', 1)]\n",
      "817  0.00  0.46 [('G', 1), ('T', 1), ('D', 1), ('A', 1)]\n",
      "818  0.00  0.39 [('A', 8), ('L', 2), ('E', 1), ('P', 1), ('G', 1)]\n",
      "819  0.01  0.62 [('D', 9), ('A', 5), ('G', 4), ('H', 2), ('E', 2), ('P', 1), ('S', 1), ('L', 1), ('N', 1)]\n",
      "820  0.01  0.48 [('G', 13), ('A', 5), ('R', 4), ('T', 1), ('L', 1), ('C', 1), ('N', 1)]\n",
      "821  0.30  0.77 [('L', 387), ('D', 160), ('K', 110), ('E', 95), ('A', 76), ('T', 49), ('R', 41), ('S', 38), ('G', 34), ('I', 33), ('H', 31), ('Q', 30), ('N', 29), ('P', 27), ('V', 14), ('M', 4), ('C', 4), ('F', 3), ('Y', 3), ('W', 1)]\n",
      "822  0.18  0.79 [('P', 123), ('K', 106), ('R', 92), ('D', 86), ('E', 66), ('G', 60), ('A', 45), ('S', 28), ('Q', 24), ('N', 22), ('T', 18), ('H', 16), ('L', 8), ('V', 7), ('C', 1), ('I', 1), ('F', 1)]\n",
      "823  0.51  0.73 [('D', 711), ('S', 222), ('K', 184), ('A', 174), ('E', 145), ('R', 111), ('G', 108), ('N', 78), ('P', 54), ('Q', 48), ('I', 43), ('T', 29), ('L', 23), ('V', 17), ('H', 15), ('C', 7), ('Y', 2), ('F', 1)]\n",
      "824  0.98  0.88 [('L', 577), ('Y', 476), ('P', 430), ('R', 429), ('F', 265), ('H', 256), ('D', 245), ('A', 217), ('N', 150), ('K', 114), ('V', 106), ('T', 87), ('S', 86), ('G', 76), ('Q', 61), ('E', 53), ('W', 45), ('C', 43), ('I', 27), ('M', 12)]\n",
      "825  0.00  0.00 [('I', 1)]\n",
      "826  0.16  0.52 [('A', 284), ('G', 187), ('R', 27), ('S', 23), ('K', 19), ('V', 9), ('P', 8), ('T', 7), ('Q', 7), ('D', 6), ('I', 4), ('F', 4), ('L', 3), ('C', 3), ('E', 2), ('W', 1), ('H', 1), ('N', 1), ('Y', 1)]\n",
      "827  0.06  0.47 [('G', 131), ('P', 32), ('A', 10), ('E', 9), ('R', 7), ('Q', 7), ('T', 5), ('N', 4), ('S', 2), ('V', 2), ('L', 1), ('M', 1), ('H', 1)]\n",
      "828  0.06  0.60 [('L', 74), ('A', 74), ('N', 27), ('S', 13), ('P', 7), ('G', 6), ('C', 5), ('Q', 4), ('H', 4), ('T', 3), ('M', 1), ('E', 1), ('K', 1), ('I', 1), ('D', 1), ('V', 1)]\n",
      "829  0.06  0.39 [('P', 162), ('A', 25), ('K', 6), ('S', 5), ('R', 5), ('E', 4), ('G', 4), ('N', 3), ('Q', 3), ('L', 2), ('D', 2), ('I', 1), ('T', 1), ('V', 1)]\n",
      "830  0.29  0.77 [('G', 362), ('A', 204), ('K', 122), ('L', 60), ('F', 51), ('H', 46), ('R', 38), ('P', 32), ('E', 31), ('Q', 28), ('D', 27), ('S', 19), ('V', 19), ('I', 19), ('Y', 17), ('C', 12), ('T', 11), ('M', 9), ('N', 8), ('W', 1)]\n",
      "831  0.65  0.82 [('L', 406), ('D', 370), ('P', 349), ('A', 284), ('R', 231), ('S', 226), ('K', 111), ('G', 105), ('T', 103), ('E', 95), ('V', 47), ('M', 46), ('H', 27), ('Q', 26), ('N', 25), ('I', 13), ('Y', 12), ('C', 11), ('F', 7)]\n",
      "832  1.00  0.76 [('P', 887), ('G', 679), ('T', 391), ('S', 327), ('N', 281), ('Q', 273), ('R', 229), ('E', 225), ('K', 189), ('A', 174), ('D', 111), ('H', 46), ('L', 11), ('V', 8), ('M', 3), ('I', 3), ('Y', 2)]\n",
      "833  1.00  0.43 [('V', 1509), ('I', 1376), ('L', 788), ('P', 45), ('C', 36), ('M', 33), ('F', 21), ('A', 11), ('T', 10), ('Y', 4), ('W', 3), ('S', 2), ('R', 1)]\n",
      "834  1.00  0.74 [('T', 1292), ('G', 451), ('V', 415), ('R', 357), ('E', 269), ('C', 178), ('S', 169), ('K', 149), ('I', 113), ('A', 109), ('D', 101), ('Q', 92), ('L', 60), ('H', 57), ('M', 19), ('W', 5), ('Y', 3), ('F', 1)]\n",
      "835  0.10  0.28 [('Y', 245), ('W', 141), ('I', 10), ('V', 5), ('F', 1), ('L', 1)]\n",
      "836  0.11  0.42 [('D', 232), ('E', 109), ('T', 22), ('Q', 17), ('R', 6), ('L', 5), ('S', 4), ('K', 3), ('N', 2), ('A', 1), ('C', 1), ('H', 1), ('M', 1), ('V', 1)]\n",
      "837  1.00  0.55 [('V', 1653), ('L', 749), ('I', 549), ('F', 524), ('M', 93), ('A', 75), ('G', 67), ('H', 50), ('Y', 27), ('Q', 24), ('C', 14), ('W', 11), ('S', 2), ('T', 2)]\n",
      "838  1.00  0.45 [('L', 2388), ('V', 533), ('I', 254), ('A', 189), ('M', 172), ('F', 108), ('C', 96), ('Y', 55), ('S', 17), ('H', 11), ('T', 11), ('Q', 3), ('G', 2), ('W', 1)]\n",
      "839  1.00  0.62 [('L', 1029), ('F', 987), ('I', 654), ('V', 580), ('M', 194), ('C', 135), ('Y', 107), ('A', 72), ('T', 34), ('W', 23), ('H', 12), ('S', 8), ('G', 3), ('N', 2)]\n",
      "840  1.00  0.44 [('T', 1734), ('N', 1417), ('V', 322), ('S', 165), ('D', 84), ('I', 33), ('A', 28), ('H', 15), ('C', 10), ('G', 9), ('P', 9), ('E', 6), ('M', 3), ('Y', 2), ('F', 1), ('L', 1)]\n",
      "841  1.00  0.53 [('G', 1315), ('S', 1006), ('P', 819), ('A', 381), ('T', 111), ('C', 109), ('V', 57), ('I', 22), ('N', 13), ('D', 2), ('H', 1), ('Y', 1), ('F', 1)]\n",
      "842  0.00  0.15 [('A', 5), ('S', 1)]\n",
      "843  1.00  0.12 [('D', 3606), ('S', 81), ('E', 43), ('N', 20), ('Y', 20), ('H', 20), ('G', 12), ('W', 12), ('F', 9), ('A', 7), ('C', 5), ('R', 2), ('P', 1), ('Q', 1)]\n",
      "844  1.00  0.01 [('E', 3820), ('H', 14), ('K', 2), ('G', 1), ('L', 1), ('A', 1)]\n",
      "845  0.08  0.00 [('E', 310)]\n",
      "846  1.00  0.15 [('E', 3525), ('S', 99), ('D', 68), ('L', 32), ('N', 29), ('R', 26), ('K', 25), ('G', 12), ('A', 8), ('V', 5), ('F', 4), ('H', 2), ('T', 1), ('Y', 1), ('W', 1), ('I', 1)]\n",
      "847  1.00  0.57 [('I', 1630), ('V', 764), ('T', 651), ('L', 288), ('S', 139), ('A', 117), ('G', 63), ('M', 47), ('R', 34), ('K', 34), ('P', 29), ('N', 12), ('Q', 7), ('H', 7), ('F', 5), ('E', 5), ('C', 4), ('Y', 1), ('D', 1)]\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "848  1.00  0.14 [('G', 3499), ('S', 204), ('A', 73), ('L', 12), ('N', 8), ('T', 6), ('H', 4), ('Y', 4), ('E', 3), ('F', 3), ('Q', 3), ('D', 3), ('K', 2), ('P', 2), ('V', 2), ('I', 2)]\n",
      "849  0.00  0.21 [('Y', 2), ('S', 1)]\n",
      "850  0.00  0.00 [('A', 2)]\n",
      "851  1.00  0.27 [('S', 3203), ('T', 182), ('K', 74), ('H', 69), ('L', 69), ('D', 66), ('A', 59), ('R', 37), ('N', 22), ('E', 21), ('Q', 9), ('G', 7), ('M', 4), ('V', 4), ('P', 3), ('Y', 1)]\n",
      "852  1.00  0.61 [('P', 2115), ('L', 390), ('R', 154), ('A', 148), ('V', 148), ('I', 134), ('H', 129), ('D', 124), ('G', 93), ('F', 93), ('T', 70), ('Q', 58), ('E', 51), ('K', 49), ('S', 20), ('M', 20), ('N', 19), ('Y', 12), ('C', 2), ('W', 1)]\n",
      "853  0.92  0.71 [('S', 903), ('T', 700), ('G', 606), ('A', 525), ('D', 138), ('E', 126), ('H', 123), ('V', 107), ('Y', 101), ('F', 59), ('I', 30), ('L', 27), ('N', 26), ('W', 22), ('R', 17), ('K', 15), ('M', 12), ('Q', 7), ('C', 4)]\n",
      "854  0.10  0.70 [('L', 128), ('S', 53), ('I', 46), ('A', 38), ('T', 33), ('V', 32), ('K', 12), ('H', 9), ('G', 8), ('R', 7), ('Q', 3), ('E', 3), ('M', 2), ('N', 2), ('F', 2), ('P', 1), ('Y', 1), ('C', 1)]\n",
      "855  0.98  0.36 [('S', 2727), ('T', 324), ('A', 265), ('G', 191), ('E', 84), ('W', 47), ('D', 36), ('C', 24), ('P', 14), ('H', 10), ('N', 6), ('V', 4), ('R', 4), ('L', 3), ('Q', 3), ('K', 2), ('F', 1), ('I', 1), ('Y', 1), ('M', 1)]\n",
      "856  0.00  0.00 [('C', 1)]\n",
      "857  0.00  0.00 [('E', 1)]\n",
      "858  0.09  0.66 [('I', 113), ('V', 70), ('L', 61), ('K', 23), ('N', 18), ('E', 17), ('T', 11), ('D', 10), ('A', 9), ('Q', 9), ('R', 5), ('S', 2)]\n",
      "859  0.09  0.31 [('S', 209), ('A', 115), ('T', 15), ('V', 4), ('G', 2), ('C', 2), ('M', 1)]\n",
      "860  1.00  0.48 [('R', 2453), ('A', 337), ('K', 314), ('S', 189), ('G', 129), ('T', 106), ('Q', 80), ('H', 80), ('E', 48), ('V', 34), ('D', 18), ('N', 17), ('W', 9), ('I', 8), ('P', 7), ('L', 3), ('Y', 3), ('C', 1), ('M', 1)]\n",
      "861  0.00  0.00 [('G', 3)]\n",
      "862  0.00  0.21 [('Q', 2), ('L', 1)]\n",
      "863  0.00  0.28 [('G', 8), ('A', 3), ('I', 1)]\n",
      "864  0.00  0.49 [('A', 6), ('S', 2), ('G', 1), ('D', 1), ('I', 1), ('E', 1)]\n",
      "865  1.00  0.77 [('A', 894), ('P', 702), ('E', 499), ('D', 432), ('S', 221), ('K', 210), ('G', 187), ('R', 163), ('Q', 133), ('T', 115), ('H', 77), ('N', 64), ('V', 46), ('L', 29), ('Y', 18), ('M', 16), ('I', 13), ('F', 12), ('W', 6)]\n",
      "866  1.00  0.63 [('L', 1915), ('V', 341), ('I', 309), ('W', 222), ('D', 217), ('H', 171), ('A', 163), ('T', 124), ('F', 123), ('Y', 56), ('M', 54), ('R', 44), ('P', 35), ('S', 23), ('E', 15), ('Q', 11), ('K', 6), ('G', 3), ('N', 2), ('C', 2)]\n",
      "867  1.00  0.37 [('I', 2640), ('L', 651), ('V', 162), ('F', 114), ('T', 95), ('M', 60), ('D', 60), ('S', 16), ('Y', 9), ('A', 8), ('H', 5), ('N', 4), ('R', 3), ('E', 3), ('W', 2), ('Q', 2), ('C', 1)]\n",
      "868  1.00  0.62 [('E', 1983), ('A', 418), ('I', 230), ('R', 229), ('T', 166), ('V', 163), ('K', 151), ('Q', 130), ('M', 75), ('D', 65), ('L', 59), ('S', 50), ('G', 46), ('Y', 20), ('H', 18), ('C', 10), ('N', 9), ('F', 7), ('P', 6), ('W', 3)]\n",
      "869  1.00  0.68 [('E', 1094), ('A', 855), ('R', 471), ('D', 381), ('K', 284), ('Q', 246), ('S', 234), ('T', 114), ('N', 61), ('G', 34), ('H', 32), ('V', 11), ('M', 10), ('L', 6), ('C', 1), ('I', 1), ('Y', 1), ('W', 1), ('F', 1)]\n",
      "870  1.00  0.73 [('E', 1095), ('L', 742), ('A', 712), ('T', 223), ('V', 193), ('R', 151), ('Q', 119), ('I', 119), ('K', 82), ('H', 73), ('F', 68), ('Y', 66), ('S', 63), ('M', 54), ('G', 24), ('C', 22), ('N', 12), ('W', 8), ('D', 8), ('P', 3)]\n",
      "871  1.00  0.29 [('A', 3009), ('G', 402), ('S', 162), ('L', 75), ('V', 54), ('C', 41), ('I', 40), ('T', 22), ('F', 7), ('M', 6), ('K', 5), ('Y', 4), ('P', 4), ('E', 3), ('R', 1), ('N', 1), ('Q', 1)]\n",
      "872  0.98  0.67 [('R', 1259), ('K', 765), ('A', 697), ('Q', 220), ('S', 152), ('E', 152), ('L', 125), ('G', 75), ('T', 69), ('D', 56), ('V', 53), ('H', 35), ('I', 35), ('P', 34), ('N', 18), ('M', 10), ('C', 6), ('Y', 2), ('W', 1), ('F', 1)]\n",
      "873  0.00  0.00 [('R', 1)]\n",
      "874  0.00  0.00 [('G', 1)]\n",
      "875  0.00  0.00 [('A', 1)]\n",
      "876  0.00  0.00 [('G', 1)]\n",
      "877  0.00  0.00 [('P', 1)]\n",
      "878  0.00  0.00 [('G', 1)]\n",
      "879  0.00  0.00 [('G', 1)]\n",
      "880  1.00  0.75 [('G', 1009), ('R', 697), ('K', 427), ('E', 329), ('D', 283), ('Q', 280), ('A', 269), ('N', 184), ('T', 74), ('S', 61), ('W', 61), ('H', 52), ('L', 46), ('I', 20), ('V', 13), ('M', 9), ('C', 8), ('Y', 6), ('P', 4), ('F', 2)]\n",
      "881  0.00  0.00 [('F', 1)]\n",
      "882  0.00  0.00 [('K', 1)]\n",
      "883  0.02  0.46 [('A', 44), ('S', 31), ('D', 5), ('Q', 4), ('K', 2), ('N', 2), ('Y', 1), ('E', 1), ('T', 1), ('I', 1)]\n",
      "884  0.98  0.69 [('A', 1299), ('S', 620), ('H', 411), ('C', 393), ('K', 317), ('Q', 147), ('V', 143), ('N', 130), ('Y', 117), ('T', 45), ('L', 45), ('M', 34), ('G', 24), ('R', 10), ('I', 9), ('F', 9), ('E', 4), ('P', 2), ('W', 1)]\n",
      "885  1.00  0.75 [('D', 1103), ('R', 642), ('A', 478), ('K', 467), ('G', 184), ('L', 142), ('H', 126), ('S', 124), ('E', 123), ('Q', 118), ('V', 99), ('T', 69), ('Y', 42), ('N', 32), ('I', 32), ('C', 20), ('F', 14), ('M', 11), ('P', 5)]\n",
      "886  1.00  0.60 [('A', 1784), ('Y', 621), ('V', 533), ('I', 195), ('F', 146), ('C', 125), ('L', 117), ('R', 82), ('H', 49), ('Q', 41), ('N', 29), ('T', 27), ('M', 25), ('K', 20), ('G', 14), ('S', 11), ('W', 8), ('E', 5), ('P', 4), ('D', 1)]\n",
      "887  1.00  0.44 [('V', 1639), ('A', 1476), ('T', 280), ('G', 227), ('C', 95), ('S', 52), ('I', 48), ('F', 6), ('E', 6), ('Y', 3), ('N', 2), ('D', 2), ('L', 1), ('M', 1)]\n",
      "888  1.00  0.27 [('L', 2830), ('F', 755), ('I', 100), ('M', 84), ('Y', 45), ('V', 22), ('C', 2)]\n",
      "889  0.00  0.00 [('G', 1)]\n",
      "890  0.00  0.00 [('L', 1)]\n",
      "891  1.00  0.53 [('V', 2136), ('N', 381), ('S', 284), ('T', 272), ('G', 264), ('I', 224), ('C', 81), ('D', 79), ('A', 57), ('L', 34), ('E', 25), ('M', 1)]\n",
      "892  1.00  0.69 [('L', 1057), ('F', 851), ('Y', 437), ('P', 354), ('A', 236), ('M', 226), ('C', 195), ('T', 195), ('V', 140), ('S', 89), ('G', 34), ('I', 21), ('H', 3)]\n",
      "893  0.99  0.04 [('E', 3732), ('D', 83), ('L', 5), ('I', 1), ('A', 1)]\n",
      "894  0.00  0.00 [('A', 1)]\n",
      "895  0.72  0.43 [('P', 1595), ('A', 565), ('G', 337), ('S', 84), ('N', 80), ('T', 69), ('F', 16), ('D', 12), ('W', 10), ('E', 5), ('C', 2), ('H', 1), ('I', 1), ('L', 1)]\n",
      "896  0.97  0.56 [('A', 1207), ('S', 935), ('P', 795), ('G', 383), ('T', 185), ('C', 125), ('L', 83), ('N', 10), ('V', 6), ('F', 5), ('Q', 2), ('Y', 1), ('W', 1), ('I', 1), ('M', 1)]\n",
      "897  0.53  0.63 [('A', 733), ('G', 630), ('L', 126), ('S', 117), ('T', 81), ('M', 77), ('V', 64), ('D', 63), ('R', 39), ('F', 34), ('Q', 32), ('I', 22), ('P', 14), ('C', 6), ('K', 4), ('Y', 3), ('H', 2), ('E', 2), ('N', 1)]\n",
      "898  0.83  0.70 [('R', 1202), ('A', 541), ('L', 334), ('G', 325), ('T', 140), ('V', 111), ('H', 96), ('D', 82), ('E', 67), ('Q', 63), ('S', 54), ('M', 45), ('F', 35), ('N', 33), ('I', 31), ('Y', 13), ('P', 11), ('K', 10), ('W', 7), ('C', 4)]\n",
      "899  0.68  0.69 [('P', 864), ('A', 615), ('E', 253), ('G', 195), ('K', 142), ('D', 127), ('V', 103), ('S', 65), ('I', 58), ('L', 43), ('T', 38), ('R', 33), ('Q', 26), ('N', 25), ('M', 17), ('H', 6), ('F', 4), ('Y', 3)]\n",
      "900  0.04  0.73 [('D', 37), ('G', 25), ('A', 24), ('P', 21), ('N', 20), ('K', 15), ('S', 8), ('E', 6), ('Q', 2), ('V', 2), ('H', 2), ('T', 2), ('L', 1), ('R', 1), ('I', 1)]\n",
      "901  0.16  0.51 [('D', 328), ('P', 91), ('E', 71), ('A', 36), ('V', 36), ('T', 16), ('G', 13), ('N', 7), ('H', 3), ('S', 2), ('I', 2), ('K', 1), ('R', 1)]\n",
      "902  0.00  0.00 [('Q', 1)]\n",
      "903  0.11  0.82 [('A', 72), ('P', 71), ('D', 51), ('G', 45), ('L', 36), ('E', 30), ('V', 29), ('I', 12), ('T', 11), ('N', 10), ('S', 9), ('K', 9), ('H', 9), ('Q', 7), ('R', 6), ('M', 3), ('Y', 2), ('F', 1)]\n",
      "904  0.00  0.37 [('G', 1), ('S', 1), ('A', 1)]\n",
      "905  0.00  0.35 [('D', 2), ('P', 1), ('S', 1)]\n",
      "906  0.00  0.35 [('T', 2), ('D', 1), ('A', 1)]\n",
      "907  0.00  0.46 [('G', 1), ('E', 1), ('R', 1), ('A', 1)]\n",
      "908  0.07  0.73 [('T', 60), ('K', 49), ('D', 39), ('A', 30), ('G', 24), ('E', 14), ('S', 13), ('N', 9), ('R', 7), ('H', 4), ('P', 3), ('L', 3), ('V', 2), ('M', 2), ('Q', 1)]\n",
      "909  0.73  0.69 [('D', 1121), ('N', 383), ('S', 260), ('G', 229), ('A', 153), ('T', 148), ('E', 139), ('P', 94), ('K', 68), ('Q', 50), ('I', 47), ('H', 43), ('V', 25), ('R', 22), ('L', 17), ('M', 5), ('Y', 4), ('F', 4), ('C', 2)]\n",
      "910  0.28  0.30 [('G', 864), ('D', 68), ('E', 28), ('A', 22), ('N', 17), ('S', 14), ('T', 11), ('Q', 11), ('R', 10), ('H', 8), ('W', 8), ('P', 5), ('K', 2), ('V', 1), ('M', 1)]\n",
      "911  0.01  0.69 [('G', 7), ('E', 5), ('R', 5), ('Q', 3), ('D', 2), ('T', 2), ('A', 1), ('P', 1), ('H', 1), ('S', 1)]\n",
      "912  0.36  0.20 [('G', 1224), ('H', 54), ('D', 40), ('N', 19), ('K', 10), ('S', 8), ('E', 8), ('T', 6), ('A', 5), ('R', 3), ('Q', 3), ('Y', 2), ('P', 2), ('V', 1), ('I', 1), ('F', 1), ('W', 1), ('L', 1)]\n",
      "913  0.01  0.39 [('G', 14), ('S', 5), ('T', 3), ('N', 1), ('E', 1)]\n",
      "914  0.00  0.51 [('P', 7), ('A', 2), ('L', 2), ('I', 2), ('E', 1), ('V', 1)]\n",
      "915  0.00  0.21 [('D', 2), ('T', 1)]\n",
      "916  0.06  0.49 [('G', 122), ('N', 39), ('S', 20), ('D', 16), ('T', 8), ('E', 4), ('A', 4), ('K', 3), ('L', 1), ('R', 1), ('Q', 1), ('Y', 1)]\n",
      "917  0.08  0.80 [('F', 77), ('P', 47), ('R', 37), ('Q', 29), ('K', 26), ('L', 22), ('I', 16), ('A', 14), ('M', 11), ('V', 8), ('Y', 7), ('G', 4), ('E', 3), ('N', 3), ('S', 3), ('H', 2), ('T', 2), ('W', 2), ('C', 1), ('D', 1)]\n",
      "918  0.59  0.47 [('G', 1350), ('D', 373), ('N', 223), ('E', 110), ('A', 43), ('H', 38), ('K', 31), ('L', 20), ('R', 14), ('S', 13), ('P', 11), ('W', 8), ('Q', 7), ('T', 7), ('M', 5), ('Y', 4), ('F', 4), ('C', 1), ('I', 1)]\n",
      "919  0.00  0.00 [('G', 6)]\n",
      "920  0.00  0.00 [('T', 6)]\n",
      "921  0.00  0.21 [('E', 4), ('D', 2)]\n",
      "922  0.00  0.15 [('F', 5), ('Y', 1)]\n",
      "923  0.00  0.34 [('A', 3), ('S', 2), ('G', 1)]\n",
      "924  0.00  0.15 [('R', 5), ('K', 1)]\n",
      "925  0.00  0.00 [('D', 6)]\n",
      "926  0.00  0.00 [('Q', 6)]\n",
      "927  0.00  0.00 [('K', 6)]\n",
      "928  0.00  0.00 [('Q', 6)]\n",
      "929  1.00  0.77 [('A', 1104), ('T', 502), ('G', 483), ('S', 371), ('N', 263), ('K', 248), ('D', 206), ('E', 161), ('R', 132), ('M', 86), ('Y', 71), ('Q', 64), ('H', 40), ('I', 29), ('L', 28), ('F', 14), ('V', 12), ('C', 12), ('W', 7), ('P', 1)]\n",
      "930  1.00  0.48 [('L', 2003), ('V', 862), ('I', 412), ('A', 242), ('G', 95), ('C', 80), ('F', 51), ('M', 48), ('Y', 25), ('P', 7), ('S', 4), ('T', 3), ('H', 3), ('N', 2), ('W', 1), ('R', 1)]\n",
      "931  1.00  0.56 [('V', 1330), ('K', 1282), ('A', 405), ('T', 341), ('I', 164), ('S', 103), ('R', 80), ('L', 63), ('M', 18), ('N', 18), ('C', 12), ('G', 8), ('F', 5), ('H', 3), ('Y', 3), ('E', 2), ('W', 1), ('P', 1)]\n",
      "932  0.00  0.00 [('G', 2)]\n",
      "933  1.00  0.62 [('T', 1760), ('V', 513), ('I', 348), ('L', 279), ('S', 246), ('G', 236), ('K', 167), ('H', 90), ('R', 56), ('N', 46), ('A', 45), ('C', 13), ('D', 9), ('M', 7), ('Q', 6), ('E', 6), ('W', 5), ('Y', 5), ('F', 1)]\n",
      "934  1.00  0.54 [('A', 1820), ('G', 939), ('S', 327), ('E', 302), ('W', 107), ('R', 69), ('Q', 68), ('N', 60), ('T', 48), ('V', 33), ('F', 26), ('K', 15), ('C', 7), ('H', 5), ('D', 4), ('M', 3), ('L', 3), ('P', 2)]\n",
      "935  1.00  0.14 [('R', 3469), ('T', 219), ('A', 116), ('G', 18), ('H', 5), ('E', 2), ('Q', 2), ('C', 2), ('N', 2), ('K', 1), ('S', 1), ('Y', 1)]\n",
      "936  1.00  0.44 [('K', 2447), ('R', 512), ('Y', 230), ('S', 182), ('G', 155), ('P', 130), ('A', 76), ('N', 49), ('H', 29), ('L', 10), ('W', 7), ('F', 4), ('M', 4), ('Q', 2), ('D', 1)]\n",
      "937  1.00  0.15 [('G', 3409), ('A', 294), ('S', 119), ('T', 4), ('W', 3), ('C', 3), ('P', 2), ('Y', 2), ('E', 1), ('M', 1)]\n",
      "938  1.00  0.71 [('V', 950), ('S', 793), ('I', 650), ('T', 429), ('G', 351), ('A', 128), ('M', 116), ('C', 98), ('L', 74), ('Q', 66), ('R', 60), ('N', 54), ('K', 28), ('Y', 15), ('W', 11), ('F', 9), ('E', 3), ('D', 2), ('H', 1)]\n",
      "939  1.00  0.57 [('G', 1540), ('A', 1017), ('S', 625), ('V', 132), ('T', 124), ('N', 108), ('I', 70), ('L', 47), ('M', 38), ('D', 34), ('Q', 32), ('Y', 20), ('E', 16), ('F', 12), ('C', 11), ('R', 7), ('H', 2), ('K', 1), ('W', 1)]\n",
      "940  1.00  0.86 [('R', 894), ('N', 469), ('T', 368), ('L', 298), ('S', 244), ('G', 203), ('I', 186), ('D', 183), ('K', 182), ('F', 157), ('A', 137), ('M', 134), ('H', 105), ('V', 75), ('Q', 69), ('E', 47), ('Y', 47), ('W', 32), ('P', 5), ('C', 2)]\n",
      "941  0.00  0.00 [('L', 1)]\n",
      "942  0.00  0.00 [('N', 1)]\n",
      "943  0.00  0.00 [('V', 1)]\n",
      "944  0.00  0.00 [('R', 1)]\n",
      "945  0.00  0.00 [('V', 1)]\n",
      "946  0.00  0.00 [('Q', 1)]\n",
      "947  0.00  0.00 [('A', 1)]\n",
      "948  0.00  0.00 [('G', 1)]\n",
      "949  0.00  0.00 [('P', 1)]\n",
      "950  0.00  0.00 [('D', 1)]\n",
      "951  0.00  0.00 [('A', 1)]\n",
      "952  0.00  0.00 [('R', 1)]\n",
      "953  0.00  0.00 [('A', 1)]\n",
      "954  0.00  0.00 [('I', 1)]\n",
      "955  0.00  0.00 [('E', 1)]\n",
      "956  0.00  0.00 [('E', 1)]\n",
      "957  0.00  0.00 [('L', 1)]\n",
      "958  0.00  0.00 [('A', 1)]\n",
      "959  0.00  0.00 [('D', 1)]\n",
      "960  0.00  0.00 [('V', 1)]\n",
      "961  0.00  0.00 [('I', 1)]\n",
      "962  0.00  0.00 [('L', 1)]\n",
      "963  0.00  0.00 [('R', 1)]\n",
      "964  0.00  0.00 [('S', 1)]\n",
      "965  0.00  0.00 [('V', 1)]\n",
      "966  0.00  0.00 [('D', 1)]\n",
      "967  0.00  0.00 [('A', 1)]\n",
      "968  0.00  0.00 [('Q', 1)]\n",
      "969  0.00  0.00 [('R', 1)]\n",
      "970  0.00  0.00 [('E', 1)]\n",
      "971  0.00  0.00 [('V', 1)]\n",
      "972  0.00  0.00 [('P', 1)]\n",
      "973  0.00  0.00 [('E', 1)]\n",
      "974  0.00  0.00 [('T', 1)]\n",
      "975  0.00  0.00 [('R', 1)]\n",
      "976  0.00  0.00 [('M', 1)]\n",
      "977  0.00  0.00 [('N', 1)]\n",
      "978  0.00  0.00 [('W', 1)]\n",
      "979  0.00  0.00 [('T', 1)]\n",
      "980  0.00  0.00 [('V', 1)]\n",
      "981  0.00  0.00 [('M', 1)]\n",
      "982  0.00  0.00 [('R', 1)]\n",
      "983  0.00  0.00 [('A', 1)]\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "984  0.00  0.00 [('E', 1)]\n",
      "985  0.00  0.00 [('D', 1)]\n",
      "986  0.00  0.00 [('P', 1)]\n",
      "987  0.00  0.00 [('A', 1)]\n",
      "988  0.00  0.00 [('G', 1)]\n",
      "989  0.00  0.00 [('L', 1)]\n",
      "990  0.00  0.00 [('G', 1)]\n",
      "991  0.00  0.00 [('R', 1)]\n",
      "992  0.00  0.00 [('L', 1)]\n",
      "993  0.00  0.00 [('S', 1)]\n",
      "994  0.00  0.00 [('N', 1)]\n",
      "995  0.00  0.00 [('T', 1)]\n",
      "996  0.00  0.00 [('A', 1)]\n",
      "997  0.00  0.00 [('Y', 1)]\n",
      "998  0.00  0.00 [('D', 1)]\n",
      "999  0.00  0.00 [('F', 1)]\n",
      "1000  0.00  0.00 [('A', 1)]\n",
      "1001  0.00  0.00 [('T', 1)]\n",
      "1002  1.00  0.58 [('F', 1294), ('Y', 1263), ('W', 322), ('A', 274), ('L', 236), ('V', 198), ('I', 98), ('M', 86), ('S', 28), ('G', 18), ('C', 8), ('P', 6), ('H', 4), ('T', 2)]\n",
      "1003  1.00  0.86 [('T', 599), ('R', 547), ('E', 504), ('D', 327), ('S', 312), ('N', 255), ('K', 229), ('V', 185), ('Q', 171), ('H', 153), ('L', 130), ('Y', 117), ('A', 94), ('I', 72), ('F', 72), ('M', 30), ('G', 15), ('C', 15), ('W', 10)]\n",
      "1004  1.00  0.46 [('L', 1592), ('V', 1171), ('I', 717), ('M', 147), ('F', 110), ('A', 87), ('C', 9), ('Y', 2), ('T', 1), ('W', 1)]\n",
      "1005  1.00  0.79 [('T', 952), ('E', 701), ('R', 305), ('K', 302), ('V', 275), ('D', 264), ('A', 175), ('I', 164), ('S', 150), ('H', 133), ('N', 127), ('L', 87), ('Q', 84), ('F', 55), ('G', 39), ('Y', 10), ('C', 7), ('M', 7)]\n",
      "1006  1.00  0.48 [('V', 2022), ('I', 628), ('A', 462), ('F', 308), ('T', 235), ('L', 123), ('C', 31), ('S', 24), ('M', 4)]\n",
      "1007  1.00  0.74 [('T', 1142), ('K', 576), ('H', 535), ('R', 382), ('E', 309), ('S', 190), ('Q', 178), ('A', 101), ('V', 87), ('I', 66), ('Y', 63), ('L', 49), ('N', 46), ('F', 39), ('D', 37), ('G', 20), ('M', 8), ('W', 5), ('C', 4)]\n",
      "1008  1.00  0.02 [('G', 3794), ('A', 39), ('S', 2), ('D', 1), ('P', 1)]\n",
      "1009  1.00  0.51 [('R', 1626), ('K', 1163), ('V', 552), ('I', 183), ('L', 87), ('Q', 67), ('T', 44), ('N', 32), ('A', 23), ('H', 19), ('E', 15), ('S', 10), ('M', 9), ('C', 4), ('F', 2), ('G', 1)]\n",
      "1010  1.00  0.48 [('A', 2046), ('S', 597), ('P', 541), ('E', 361), ('T', 112), ('Q', 61), ('R', 53), ('G', 39), ('D', 12), ('K', 10), ('N', 3), ('M', 1), ('V', 1)]\n",
      "1011  1.00  0.28 [('A', 2622), ('S', 996), ('G', 162), ('V', 24), ('T', 11), ('K', 8), ('N', 4), ('I', 2), ('R', 2), ('Q', 2), ('C', 2), ('L', 1), ('F', 1)]\n",
      "1012  1.00  0.00 [('H', 3833), ('N', 1), ('P', 1), ('Q', 1), ('D', 1)]\n",
      "1013  1.00  0.21 [('A', 3005), ('S', 742), ('V', 32), ('Q', 26), ('T', 10), ('P', 8), ('G', 7), ('C', 4), ('H', 2)]\n",
      "1014  1.00  0.14 [('G', 3438), ('S', 278), ('A', 105), ('T', 4), ('Q', 4), ('M', 3), ('E', 1), ('V', 1), ('D', 1), ('L', 1)]\n",
      "1015  0.99  0.74 [('L', 963), ('V', 512), ('A', 459), ('R', 431), ('N', 392), ('G', 297), ('S', 252), ('I', 222), ('T', 86), ('Q', 73), ('W', 57), ('M', 25), ('K', 16), ('E', 12), ('D', 8), ('F', 6), ('H', 5), ('Y', 3)]\n",
      "1016  1.00  0.71 [('E', 1043), ('A', 644), ('N', 622), ('D', 536), ('R', 273), ('I', 211), ('V', 92), ('S', 87), ('H', 83), ('T', 68), ('K', 57), ('Q', 54), ('L', 18), ('C', 14), ('Y', 12), ('G', 8), ('M', 4), ('F', 4), ('P', 2)]\n",
      "1017  0.00  0.00 [('N', 1)]\n",
      "1018  1.00  0.42 [('P', 2441), ('F', 539), ('H', 378), ('L', 257), ('Y', 82), ('W', 43), ('A', 25), ('G', 23), ('I', 14), ('N', 8), ('S', 6), ('R', 5), ('V', 3), ('M', 2), ('C', 2), ('T', 2), ('Q', 1), ('E', 1), ('D', 1)]\n",
      "1019  0.08  0.60 [('S', 132), ('Q', 30), ('N', 27), ('T', 27), ('G', 26), ('R', 25), ('K', 21), ('A', 4), ('D', 3), ('E', 3), ('H', 1)]\n",
      "1020  0.08  0.56 [('E', 122), ('P', 56), ('D', 48), ('A', 33), ('K', 12), ('S', 10), ('Q', 7), ('N', 6), ('G', 2), ('L', 1)]\n",
      "1021  0.99  0.65 [('E', 1778), ('A', 442), ('Q', 346), ('D', 209), ('H', 208), ('S', 188), ('K', 140), ('T', 124), ('G', 90), ('R', 77), ('Y', 50), ('N', 40), ('W', 38), ('L', 31), ('F', 30), ('P', 13), ('M', 4), ('I', 3), ('V', 2), ('C', 1)]\n",
      "1022  1.00  0.77 [('K', 749), ('D', 676), ('A', 564), ('E', 450), ('R', 372), ('L', 306), ('N', 130), ('Q', 109), ('S', 106), ('V', 99), ('G', 96), ('T', 68), ('I', 42), ('M', 21), ('H', 15), ('Y', 9), ('F', 9), ('P', 6)]\n",
      "1023  1.00  0.03 [('G', 3787), ('K', 26), ('S', 11), ('N', 2), ('C', 2), ('T', 2), ('A', 2), ('Q', 1), ('E', 1), ('F', 1), ('H', 1)]\n",
      "1024  1.00  0.58 [('R', 1390), ('V', 814), ('A', 772), ('I', 471), ('Y', 104), ('D', 60), ('H', 36), ('S', 31), ('K', 29), ('C', 25), ('F', 23), ('T', 18), ('L', 17), ('E', 12), ('P', 12), ('Q', 11), ('N', 9), ('G', 2)]\n",
      "1025  1.00  0.33 [('N', 1803), ('S', 1685), ('G', 298), ('D', 34), ('H', 15), ('E', 1), ('T', 1)]\n",
      "1026  1.00  0.03 [('A', 3790), ('S', 28), ('T', 15), ('V', 2), ('D', 1), ('G', 1)]\n",
      "1027  1.00  0.51 [('I', 1972), ('V', 544), ('L', 528), ('A', 296), ('T', 190), ('G', 184), ('N', 72), ('S', 38), ('M', 8), ('F', 2), ('C', 2), ('H', 1)]\n",
      "1028  1.00  0.87 [('V', 740), ('L', 430), ('R', 368), ('Y', 347), ('E', 319), ('T', 309), ('I', 271), ('D', 166), ('H', 161), ('A', 129), ('M', 119), ('F', 110), ('G', 101), ('Q', 63), ('N', 53), ('C', 48), ('K', 44), ('S', 42), ('W', 17)]\n",
      "1029  1.00  0.33 [('E', 2662), ('A', 866), ('V', 61), ('Y', 50), ('T', 36), ('G', 27), ('R', 26), ('Q', 23), ('I', 17), ('M', 13), ('H', 13), ('D', 12), ('L', 11), ('S', 7), ('P', 7), ('K', 6)]\n",
      "1030  1.00  0.42 [('L', 1985), ('A', 1001), ('M', 557), ('I', 146), ('V', 76), ('T', 33), ('S', 20), ('F', 11), ('G', 6), ('C', 2)]\n",
      "1031  1.00  0.28 [('A', 2989), ('S', 504), ('G', 109), ('V', 93), ('C', 72), ('I', 18), ('T', 16), ('M', 14), ('L', 13), ('N', 4), ('F', 2), ('Y', 2), ('R', 1)]\n",
      "1032  1.00  0.62 [('H', 1501), ('R', 984), ('D', 345), ('E', 261), ('N', 161), ('Y', 125), ('A', 112), ('K', 110), ('Q', 73), ('L', 53), ('G', 23), ('S', 21), ('F', 17), ('T', 14), ('I', 13), ('C', 8), ('V', 7), ('P', 5), ('M', 3), ('W', 1)]\n",
      "1033  1.00  0.66 [('Q', 1453), ('L', 526), ('K', 509), ('I', 404), ('A', 232), ('V', 198), ('W', 148), ('F', 135), ('H', 62), ('R', 56), ('M', 42), ('T', 29), ('S', 19), ('C', 17), ('E', 3), ('G', 2), ('Y', 1), ('N', 1)]\n",
      "1034  1.00  0.48 [('I', 1587), ('V', 1147), ('L', 630), ('A', 253), ('T', 140), ('M', 47), ('S', 16), ('G', 8), ('C', 7), ('N', 1), ('Y', 1)]\n",
      "1035  1.00  0.67 [('L', 1697), ('V', 457), ('I', 391), ('Q', 237), ('T', 211), ('P', 145), ('A', 118), ('N', 118), ('D', 114), ('S', 80), ('G', 71), ('H', 53), ('E', 45), ('R', 35), ('M', 28), ('C', 23), ('K', 6), ('F', 4), ('Y', 3), ('W', 1)]\n",
      "1036  1.00  0.69 [('A', 1457), ('Q', 589), ('R', 473), ('E', 322), ('K', 241), ('D', 176), ('T', 137), ('G', 101), ('S', 62), ('Y', 62), ('V', 44), ('N', 42), ('L', 40), ('F', 40), ('H', 28), ('W', 8), ('M', 8), ('I', 5), ('P', 2)]\n",
      "1037  1.00  0.52 [('L', 1565), ('I', 1062), ('V', 507), ('F', 305), ('M', 194), ('T', 90), ('A', 87), ('W', 9), ('S', 6), ('C', 6), ('Y', 5), ('D', 1)]\n",
      "1038  1.00  0.82 [('A', 587), ('H', 574), ('E', 534), ('R', 400), ('Q', 331), ('K', 287), ('D', 227), ('N', 222), ('S', 153), ('Y', 137), ('T', 122), ('G', 117), ('V', 70), ('L', 24), ('F', 19), ('M', 12), ('I', 11), ('P', 5), ('C', 3), ('W', 1)]\n",
      "1039  0.98  0.66 [('A', 1511), ('G', 450), ('D', 422), ('E', 336), ('K', 226), ('S', 198), ('Q', 189), ('R', 163), ('T', 113), ('N', 94), ('H', 21), ('V', 12), ('L', 12), ('M', 7), ('P', 5), ('I', 4), ('W', 1), ('C', 1)]\n",
      "1040  0.00  0.00 [('D', 3)]\n",
      "1041  0.00  0.37 [('A', 1), ('E', 1), ('D', 1)]\n",
      "1042  0.98  0.50 [('L', 2275), ('M', 535), ('I', 189), ('A', 154), ('E', 154), ('F', 100), ('V', 96), ('Q', 90), ('D', 36), ('W', 23), ('K', 22), ('T', 20), ('G', 20), ('R', 17), ('S', 12), ('H', 9), ('Y', 5), ('N', 3), ('C', 2)]\n",
      "1043  0.97  0.73 [('T', 1040), ('A', 614), ('N', 509), ('G', 429), ('S', 318), ('L', 223), ('V', 177), ('E', 74), ('R', 69), ('Q', 68), ('D', 65), ('H', 52), ('K', 38), ('I', 20), ('M', 18), ('P', 17), ('C', 3), ('F', 1)]\n",
      "1044  0.08  0.70 [('P', 82), ('S', 50), ('K', 42), ('R', 41), ('A', 29), ('I', 14), ('Q', 14), ('G', 10), ('V', 5), ('E', 4), ('M', 3), ('T', 3), ('H', 1), ('L', 1), ('D', 1)]\n",
      "1045  0.88  0.60 [('D', 1652), ('G', 395), ('N', 267), ('A', 246), ('R', 189), ('T', 172), ('S', 151), ('K', 138), ('Q', 58), ('E', 50), ('H', 11), ('P', 9), ('C', 7), ('V', 7), ('L', 4), ('F', 4), ('I', 3), ('Y', 1), ('M', 1)]\n",
      "1046  0.04  0.63 [('Q', 71), ('K', 34), ('R', 19), ('L', 11), ('E', 6), ('P', 6), ('G', 5), ('A', 4), ('S', 3), ('V', 3), ('D', 2), ('H', 2), ('I', 1), ('Y', 1), ('F', 1)]\n",
      "1047  0.00  0.00 [('F', 1)]\n",
      "1048  0.33  0.86 [('L', 233), ('P', 228), ('Y', 141), ('F', 90), ('E', 71), ('H', 69), ('S', 62), ('R', 57), ('A', 54), ('W', 39), ('K', 37), ('T', 27), ('I', 26), ('D', 25), ('M', 24), ('G', 21), ('Q', 19), ('N', 12), ('V', 11), ('C', 7)]\n",
      "1049  0.00  0.00 [('N', 1)]\n",
      "1050  0.00  0.23 [('T', 1), ('V', 1)]\n",
      "1051  0.00  0.35 [('S', 2), ('P', 1), ('T', 1)]\n",
      "1052  0.00  0.71 [('D', 3), ('S', 2), ('H', 2), ('A', 2), ('E', 2), ('T', 1), ('V', 1), ('K', 1), ('G', 1)]\n",
      "1053  0.81  0.83 [('E', 820), ('P', 306), ('R', 284), ('D', 283), ('A', 245), ('Y', 229), ('L', 222), ('G', 110), ('S', 95), ('K', 79), ('Q', 70), ('W', 68), ('H', 63), ('T', 59), ('I', 57), ('V', 52), ('F', 45), ('M', 17), ('N', 13), ('C', 3)]\n",
      "1054  0.65  0.77 [('P', 650), ('K', 343), ('A', 256), ('E', 252), ('D', 205), ('R', 178), ('Q', 147), ('T', 138), ('S', 119), ('G', 62), ('L', 46), ('N', 41), ('V', 24), ('I', 20), ('H', 18), ('F', 3), ('C', 1), ('M', 1)]\n",
      "1055  0.02  0.38 [('V', 57), ('A', 9), ('I', 6), ('D', 3), ('M', 3), ('T', 2), ('L', 1), ('S', 1)]\n",
      "1056  0.52  0.51 [('G', 1255), ('D', 156), ('N', 135), ('K', 96), ('E', 89), ('Y', 62), ('L', 49), ('R', 35), ('Q', 27), ('A', 26), ('F', 23), ('S', 20), ('T', 19), ('H', 4), ('W', 2), ('C', 1), ('P', 1), ('M', 1)]\n",
      "1057  0.02  0.54 [('S', 31), ('G', 13), ('A', 7), ('E', 3), ('P', 3), ('D', 3), ('T', 3), ('R', 1), ('Q', 1)]\n",
      "1058  0.01  0.67 [('D', 11), ('G', 7), ('E', 6), ('A', 6), ('N', 2), ('V', 2), ('S', 1), ('Y', 1), ('T', 1), ('H', 1), ('R', 1)]\n",
      "1059  0.02  0.69 [('G', 25), ('P', 8), ('A', 7), ('R', 6), ('D', 6), ('K', 5), ('E', 4), ('T', 2), ('N', 2), ('L', 1), ('S', 1), ('I', 1), ('V', 1)]\n",
      "1060  0.00  0.47 [('G', 7), ('T', 4), ('L', 2), ('P', 2), ('M', 1)]\n",
      "1061  0.00  0.56 [('G', 4), ('A', 3), ('D', 2), ('S', 2), ('R', 1), ('T', 1)]\n",
      "1062  0.00  0.57 [('G', 4), ('T', 2), ('P', 2), ('A', 2), ('V', 2), ('S', 1)]\n",
      "1063  0.00  0.45 [('G', 4), ('T', 3), ('P', 2), ('A', 2)]\n",
      "1064  0.00  0.39 [('A', 6), ('V', 2), ('G', 2), ('D', 1)]\n",
      "1065  0.00  0.55 [('G', 4), ('P', 2), ('A', 2), ('T', 1), ('E', 1), ('L', 1)]\n",
      "1066  0.00  0.55 [('G', 4), ('T', 2), ('A', 2), ('S', 1), ('Y', 1), ('E', 1)]\n",
      "1067  0.00  0.60 [('G', 4), ('T', 3), ('D', 2), ('N', 2), ('S', 1), ('A', 1), ('R', 1)]\n",
      "1068  0.00  0.63 [('A', 2), ('G', 2), ('T', 1), ('N', 1), ('S', 1), ('P', 1), ('V', 1)]\n",
      "1069  0.00  0.56 [('P', 3), ('A', 2), ('G', 1), ('S', 1), ('D', 1), ('T', 1)]\n",
      "1070  0.00  0.61 [('A', 3), ('N', 1), ('K', 1), ('P', 1), ('T', 1), ('R', 1), ('S', 1)]\n",
      "1071  0.00  0.36 [('T', 3), ('A', 3), ('G', 2)]\n",
      "1072  0.00  0.40 [('G', 4), ('A', 4), ('P', 1), ('T', 1)]\n",
      "1073  0.00  0.61 [('A', 3), ('D', 2), ('V', 1), ('S', 1), ('E', 1), ('G', 1), ('R', 1)]\n",
      "1074  0.00  0.23 [('P', 1), ('G', 1)]\n",
      "1075  0.00  0.23 [('A', 1), ('L', 1)]\n",
      "1076  0.00  0.23 [('V', 1), ('P', 1)]\n",
      "1077  0.00  0.00 [('L', 1)]\n",
      "1078  0.00  0.00 [('P', 1)]\n",
      "1079  0.00  0.00 [('A', 1)]\n",
      "1080  0.00  0.33 [('L', 4), ('A', 3), ('E', 1)]\n",
      "1081  0.00  0.50 [('S', 3), ('Q', 2), ('R', 1), ('P', 1), ('D', 1)]\n",
      "1082  0.00  0.44 [('F', 3), ('P', 2), ('L', 2), ('Y', 1)]\n",
      "1083  0.00  0.57 [('T', 5), ('S', 2), ('R', 1), ('G', 1), ('D', 1), ('A', 1), ('V', 1)]\n",
      "1084  0.00  0.45 [('P', 5), ('A', 4), ('N', 1), ('S', 1), ('R', 1)]\n",
      "1085  0.00  0.55 [('E', 4), ('A', 2), ('D', 2), ('P', 1), ('T', 1), ('K', 1)]\n",
      "1086  0.00  0.51 [('A', 5), ('G', 2), ('D', 1), ('T', 1), ('K', 1), ('R', 1)]\n",
      "1087  0.00  0.23 [('L', 6), ('P', 5)]\n",
      "1088  0.00  0.46 [('G', 5), ('K', 3), ('A', 1), ('E', 1), ('Q', 1)]\n",
      "1089  0.00  0.58 [('T', 2), ('A', 2), ('K', 2), ('E', 2), ('V', 1), ('D', 1)]\n",
      "1090  0.00  0.48 [('R', 4), ('Q', 2), ('S', 1), ('A', 1), ('D', 1)]\n",
      "1091  0.00  0.40 [('G', 9), ('A', 4), ('V', 1), ('P', 1), ('S', 1)]\n",
      "1092  0.00  0.64 [('I', 4), ('S', 2), ('L', 2), ('G', 1), ('T', 1), ('V', 1), ('A', 1), ('N', 1)]\n",
      "1093  0.00  0.77 [('D', 3), ('A', 2), ('S', 2), ('G', 1), ('N', 1), ('T', 1), ('L', 1), ('V', 1), ('Q', 1), ('I', 1), ('M', 1)]\n",
      "1094  0.00  0.49 [('D', 6), ('A', 4), ('S', 3), ('T', 2), ('G', 1)]\n",
      "1095  0.03  0.57 [('L', 64), ('Q', 7), ('S', 5), ('D', 4), ('A', 4), ('E', 4), ('K', 4), ('H', 4), ('T', 3), ('G', 3), ('V', 2), ('P', 2), ('R', 1), ('I', 1), ('Y', 1)]\n",
      "1096  0.00  0.44 [('G', 8), ('S', 3), ('A', 3), ('V', 1), ('P', 1)]\n",
      "1097  0.01  0.52 [('A', 9), ('G', 5), ('V', 3), ('T', 2), ('E', 2), ('D', 1)]\n",
      "1098  0.01  0.67 [('T', 16), ('G', 9), ('A', 8), ('N', 4), ('S', 3), ('E', 3), ('D', 3), ('P', 2), ('L', 1), ('V', 1), ('R', 1)]\n",
      "1099  0.05  0.66 [('S', 59), ('G', 35), ('A', 25), ('L', 19), ('H', 12), ('D', 8), ('T', 7), ('R', 4), ('P', 2), ('C', 2), ('N', 2), ('Y', 1), ('E', 1), ('I', 1)]\n",
      "1100  0.05  0.64 [('R', 76), ('S', 42), ('G', 21), ('P', 14), ('A', 11), ('Q', 10), ('E', 7), ('L', 7), ('D', 5), ('V', 2), ('T', 1), ('F', 1), ('C', 1), ('K', 1)]\n",
      "1101  0.41  0.74 [('E', 450), ('A', 314), ('D', 215), ('S', 119), ('G', 99), ('I', 68), ('P', 56), ('T', 53), ('Q', 50), ('K', 45), ('R', 37), ('V', 30), ('L', 23), ('N', 10), ('F', 7), ('H', 6), ('Y', 4)]\n",
      "1102  0.43  0.76 [('R', 465), ('A', 316), ('L', 170), ('K', 143), ('D', 99), ('G', 78), ('V', 71), ('T', 52), ('I', 51), ('P', 47), ('Q', 40), ('S', 37), ('E', 30), ('N', 16), ('H', 15), ('F', 6), ('M', 5), ('Y', 1), ('C', 1)]\n",
      "1103  0.49  0.35 [('G', 1390), ('D', 241), ('E', 81), ('P', 51), ('A', 39), ('N', 17), ('S', 16), ('T', 15), ('Q', 10), ('K', 9), ('H', 7), ('R', 5), ('W', 4), ('F', 4), ('M', 2), ('L', 2), ('Y', 2)]\n",
      "1104  0.06  0.67 [('E', 74), ('A', 43), ('G', 41), ('P', 12), ('L', 12), ('S', 10), ('R', 9), ('D', 6), ('K', 4), ('T', 3), ('M', 3), ('I', 2), ('V', 1), ('Y', 1), ('N', 1), ('Q', 1)]\n",
      "1105  0.00  0.59 [('G', 6), ('P', 3), ('T', 2), ('K', 2), ('S', 2), ('R', 1), ('A', 1)]\n",
      "1106  0.00  0.00 [('V', 1)]\n",
      "1107  0.99  0.55 [('T', 1673), ('L', 707), ('I', 492), ('V', 487), ('C', 221), ('A', 85), ('S', 32), ('F', 26), ('R', 23), ('M', 21), ('N', 12), ('H', 9), ('P', 8), ('K', 7), ('Q', 5), ('Y', 5), ('G', 2)]\n",
      "1108  1.00  0.36 [('T', 2791), ('S', 545), ('K', 141), ('L', 70), ('Q', 61), ('A', 42), ('R', 31), ('P', 28), ('H', 23), ('N', 20), ('E', 19), ('I', 17), ('G', 11), ('V', 9), ('Y', 7), ('F', 6), ('C', 4), ('M', 4), ('D', 2)]\n",
      "1109  1.00  0.53 [('V', 1842), ('L', 575), ('F', 571), ('I', 391), ('T', 169), ('A', 98), ('Y', 78), ('M', 53), ('C', 51), ('S', 6), ('G', 1), ('W', 1)]\n",
      "1110  1.00  0.33 [('N', 2656), ('T', 584), ('S', 415), ('V', 109), ('G', 27), ('H', 14), ('C', 10), ('A', 9), ('L', 3), ('Q', 3), ('R', 2), ('I', 2), ('E', 1)]\n",
      "1111  1.00  0.49 [('V', 1819), ('P', 1139), ('W', 280), ('I', 200), ('T', 112), ('F', 103), ('A', 87), ('C', 57), ('L', 32), ('M', 4), ('S', 1)]\n",
      "1112  1.00  0.34 [('G', 2365), ('T', 1005), ('A', 339), ('S', 47), ('N', 44), ('V', 14), ('D', 8), ('L', 5), ('C', 2), ('R', 2), ('I', 2), ('P', 1), ('W', 1)]\n",
      "1113  0.93  0.67 [('V', 1323), ('L', 719), ('T', 300), ('K', 290), ('R', 285), ('I', 217), ('M', 121), ('A', 62), ('P', 48), ('F', 44), ('Q', 40), ('S', 27), ('Y', 22), ('N', 14), ('E', 14), ('H', 14), ('C', 10), ('D', 7), ('G', 4), ('W', 3)]\n",
      "1114  1.00  0.51 [('I', 1717), ('V', 957), ('L', 531), ('A', 253), ('M', 187), ('F', 78), ('T', 49), ('G', 22), ('S', 20), ('Q', 6), ('N', 5), ('R', 4), ('C', 3), ('K', 2), ('W', 1)]\n",
      "1115  1.00  0.83 [('S', 799), ('A', 482), ('E', 428), ('R', 365), ('H', 280), ('K', 264), ('Q', 229), ('D', 219), ('T', 186), ('G', 127), ('N', 120), ('V', 106), ('L', 104), ('I', 51), ('W', 32), ('M', 27), ('F', 10), ('C', 5), ('P', 1)]\n",
      "1116  0.72  0.37 [('G', 1845), ('A', 522), ('S', 143), ('K', 130), ('Q', 66), ('T', 17), ('R', 13), ('N', 12), ('I', 11), ('E', 9), ('H', 3), ('V', 2), ('D', 2), ('C', 1), ('M', 1)]\n",
      "1117  1.00  0.15 [('G', 3377), ('A', 350), ('S', 77), ('Q', 8), ('T', 8), ('D', 4), ('V', 3), ('F', 2), ('K', 2), ('W', 1), ('N', 1), ('E', 1)]\n",
      "1118  0.08  0.43 [('T', 185), ('S', 43), ('A', 34), ('Q', 29), ('E', 5), ('D', 4), ('G', 4), ('V', 2), ('N', 2)]\n",
      "1119  0.08  0.76 [('E', 54), ('T', 47), ('F', 43), ('D', 42), ('S', 25), ('P', 25), ('Q', 24), ('N', 11), ('R', 9), ('A', 7), ('K', 6), ('G', 4), ('M', 1), ('H', 1), ('L', 1)]\n",
      "1120  0.08  0.47 [('V', 114), ('A', 110), ('I', 36), ('T', 17), ('L', 17), ('M', 1), ('S', 1), ('G', 1), ('F', 1)]\n",
      "1121  0.08  0.77 [('E', 49), ('S', 40), ('D', 39), ('A', 39), ('N', 36), ('T', 33), ('K', 16), ('Q', 13), ('R', 11), ('V', 8), ('G', 6), ('H', 4), ('L', 3), ('I', 1)]\n",
      "1122  0.08  0.72 [('Y', 72), ('L', 56), ('F', 53), ('I', 24), ('V', 23), ('E', 20), ('H', 17), ('T', 9), ('M', 8), ('A', 3), ('N', 3), ('Q', 2), ('P', 2), ('S', 1), ('R', 1), ('K', 1), ('G', 1), ('D', 1)]\n",
      "1123  0.08  0.37 [('D', 208), ('N', 39), ('G', 9), ('K', 7), ('S', 7), ('A', 7), ('Q', 5), ('T', 4), ('E', 3), ('L', 2), ('H', 1)]\n",
      "1124  0.08  0.75 [('E', 67), ('A', 60), ('D', 34), ('S', 29), ('K', 27), ('P', 23), ('V', 14), ('T', 9), ('N', 9), ('I', 7), ('G', 6), ('Q', 4), ('R', 3), ('F', 1), ('C', 1), ('L', 1)]\n",
      "1125  0.08  0.82 [('A', 54), ('D', 53), ('S', 26), ('G', 24), ('K', 23), ('T', 21), ('E', 19), ('M', 16), ('Q', 15), ('N', 12), ('L', 12), ('V', 8), ('P', 5), ('I', 4), ('H', 3)]\n",
      "1126  0.08  0.72 [('G', 90), ('T', 54), ('S', 32), ('N', 28), ('K', 24), ('A', 13), ('Q', 12), ('R', 9), ('D', 9), ('E', 6), ('L', 6), ('P', 6), ('I', 3), ('H', 2), ('V', 1)]\n",
      "1127  0.08  0.72 [('S', 78), ('G', 41), ('A', 39), ('T', 29), ('V', 29), ('N', 24), ('I', 24), ('L', 15), ('F', 7), ('D', 4), ('E', 3), ('K', 2), ('Y', 1), ('Q', 1)]\n",
      "1128  0.08  0.69 [('R', 79), ('K', 73), ('S', 35), ('E', 19), ('G', 18), ('Q', 18), ('T', 15), ('A', 13), ('H', 7), ('N', 4), ('I', 4), ('Y', 2), ('M', 2), ('D', 1)]\n",
      "1129  0.53  0.28 [('G', 1655), ('A', 133), ('S', 92), ('E', 35), ('V', 25), ('N', 20), ('T', 18), ('I', 13), ('Q', 11), ('D', 10), ('L', 8), ('R', 6), ('P', 2), ('M', 1), ('K', 1)]\n",
      "1130  1.00  0.68 [('T', 1643), ('S', 430), ('Q', 391), ('A', 286), ('P', 179), ('E', 174), ('D', 155), ('I', 142), ('G', 130), ('V', 83), ('N', 71), ('M', 36), ('L', 34), ('R', 34), ('K', 31), ('H', 13), ('F', 1)]\n",
      "1131  0.53  0.73 [('A', 443), ('N', 337), ('S', 277), ('V', 258), ('R', 207), ('G', 168), ('L', 97), ('T', 96), ('K', 77), ('P', 42), ('I', 13), ('D', 7), ('E', 3), ('Q', 3), ('M', 2), ('H', 2), ('F', 1), ('Y', 1), ('W', 1)]\n",
      "1132  0.00  0.21 [('K', 2), ('R', 1)]\n",
      "1133  0.89  0.79 [('T', 694), ('R', 588), ('A', 507), ('V', 334), ('S', 273), ('W', 238), ('G', 204), ('P', 144), ('F', 129), ('L', 95), ('K', 65), ('I', 40), ('H', 37), ('E', 29), ('Y', 15), ('M', 14), ('Q', 12), ('N', 10), ('C', 6), ('D', 4)]\n",
      "1134  0.08  0.02 [('G', 297), ('A', 1), ('S', 1), ('I', 1)]\n",
      "1135  0.08  0.08 [('K', 282), ('R', 16), ('F', 2)]\n",
      "1136  0.55  0.74 [('T', 565), ('V', 403), ('S', 301), ('P', 169), ('R', 165), ('A', 147), ('D', 81), ('G', 48), ('L', 47), ('I', 37), ('E', 31), ('N', 31), ('K', 25), ('M', 21), ('Q', 14), ('F', 13), ('C', 2), ('Y', 1)]\n",
      "1137  1.00  0.03 [('N', 3778), ('T', 21), ('Q', 12), ('S', 8), ('L', 5), ('Y', 3), ('A', 2), ('H', 1), ('W', 1), ('G', 1), ('I', 1), ('E', 1)]\n",
      "1138  1.00  0.48 [('V', 1857), ('T', 983), ('I', 508), ('C', 235), ('Q', 72), ('A', 66), ('M', 60), ('S', 24), ('R', 13), ('L', 11), ('K', 2), ('P', 1), ('G', 1), ('E', 1)]\n",
      "1139  0.00  0.00 [('A', 1)]\n",
      "1140  0.00  0.00 [('R', 1)]\n",
      "1141  0.00  0.00 [('E', 1)]\n",
      "1142  0.00  0.00 [('L', 1)]\n",
      "1143  0.00  0.00 [('L', 1)]\n",
      "1144  0.00  0.00 [('T', 2)]\n",
      "1145  1.00  0.28 [('V', 2655), ('I', 949), ('T', 167), ('A', 31), ('M', 6), ('S', 6), ('R', 6), ('L', 5), ('C', 4), ('K', 3), ('E', 1), ('Y', 1)]\n",
      "1146  1.00  0.34 [('P', 2217), ('A', 1259), ('S', 229), ('C', 53), ('T', 40), ('M', 32), ('G', 1), ('Q', 1), ('L', 1), ('D', 1)]\n",
      "1147  1.00  0.66 [('D', 994), ('A', 958), ('P', 500), ('E', 417), ('G', 408), ('S', 154), ('Q', 137), ('T', 136), ('R', 43), ('N', 32), ('K', 26), ('H', 11), ('I', 8), ('V', 4), ('M', 2), ('W', 1), ('L', 1), ('F', 1)]\n",
      "1148  1.00  0.87 [('E', 584), ('H', 535), ('S', 376), ('R', 346), ('L', 309), ('T', 286), ('Q', 277), ('K', 213), ('A', 205), ('Y', 185), ('F', 122), ('V', 94), ('D', 79), ('N', 76), ('I', 53), ('W', 39), ('M', 26), ('G', 22), ('C', 6)]\n",
      "1149  1.00  0.27 [('A', 3036), ('C', 429), ('G', 152), ('V', 88), ('S', 46), ('L', 35), ('T', 31), ('I', 9), ('F', 4), ('M', 2), ('H', 1)]\n",
      "1150  1.00  0.84 [('T', 643), ('E', 563), ('V', 495), ('R', 452), ('S', 420), ('I', 197), ('K', 166), ('Q', 151), ('Y', 117), ('H', 107), ('D', 83), ('A', 80), ('L', 80), ('W', 77), ('G', 64), ('F', 47), ('M', 47), ('N', 32), ('C', 12)]\n",
      "1151  1.00  0.58 [('A', 1596), ('L', 621), ('V', 615), ('C', 267), ('F', 219), ('G', 217), ('I', 177), ('M', 80), ('T', 25), ('S', 10), ('H', 3), ('R', 1), ('N', 1)]\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1152  1.00  0.85 [('E', 876), ('R', 520), ('Q', 362), ('K', 302), ('A', 269), ('V', 212), ('G', 183), ('T', 180), ('D', 168), ('H', 167), ('S', 163), ('I', 115), ('L', 108), ('M', 47), ('N', 43), ('Y', 32), ('C', 25), ('F', 24), ('W', 17), ('P', 17)]\n",
      "1153  1.00  0.58 [('V', 1446), ('I', 767), ('A', 518), ('L', 381), ('G', 377), ('F', 241), ('C', 39), ('M', 29), ('S', 17), ('W', 11), ('T', 3), ('R', 1)]\n",
      "1154  0.00  0.21 [('L', 2), ('R', 1)]\n",
      "1155  0.06  0.03 [('L', 234), ('M', 1), ('I', 1), ('W', 1)]\n",
      "1156  0.06  0.16 [('S', 209), ('T', 18), ('C', 5), ('V', 3), ('I', 1), ('L', 1)]\n",
      "1157  0.06  0.10 [('M', 226), ('V', 5), ('S', 2), ('A', 2), ('L', 1), ('G', 1), ('Q', 1), ('C', 1)]\n",
      "1158  0.93  0.27 [('D', 2791), ('N', 365), ('E', 232), ('G', 159), ('S', 16), ('Y', 11), ('L', 9), ('H', 7), ('A', 1), ('V', 1), ('T', 1)]\n",
      "1159  0.94  0.55 [('V', 1585), ('L', 767), ('I', 446), ('A', 268), ('F', 200), ('M', 169), ('T', 58), ('C', 36), ('S', 35), ('Y', 9), ('R', 9), ('G', 7), ('W', 2), ('H', 2), ('P', 1)]\n",
      "1160  0.94  0.03 [('R', 3556), ('L', 11), ('V', 8), ('G', 5), ('H', 5), ('S', 2), ('A', 2), ('T', 2), ('M', 1), ('Q', 1), ('P', 1)]\n",
      "1161  1.00  0.66 [('V', 1094), ('A', 882), ('F', 619), ('Y', 327), ('I', 254), ('P', 226), ('S', 134), ('T', 131), ('L', 94), ('M', 35), ('C', 17), ('G', 11), ('H', 2), ('R', 2), ('N', 1), ('D', 1)]\n",
      "1162  1.00  0.87 [('A', 488), ('L', 458), ('K', 402), ('S', 339), ('P', 331), ('R', 326), ('W', 314), ('T', 293), ('V', 232), ('E', 181), ('I', 131), ('Q', 93), ('F', 59), ('D', 43), ('G', 35), ('N', 34), ('M', 29), ('Y', 22), ('H', 11), ('C', 9)]\n",
      "1163  1.00  0.72 [('T', 1093), ('S', 743), ('D', 598), ('R', 319), ('E', 221), ('N', 209), ('K', 170), ('Q', 86), ('V', 84), ('A', 80), ('L', 63), ('H', 51), ('G', 45), ('I', 23), ('P', 16), ('C', 11), ('Y', 11), ('F', 6), ('M', 1)]\n",
      "1164  1.00  0.86 [('P', 697), ('A', 480), ('L', 403), ('Q', 356), ('V', 325), ('E', 310), ('N', 216), ('T', 201), ('M', 144), ('D', 136), ('R', 128), ('K', 109), ('S', 97), ('I', 95), ('H', 39), ('G', 37), ('Y', 28), ('F', 26), ('W', 2), ('C', 1)]\n",
      "1165  1.00  0.62 [('A', 1281), ('E', 1126), ('D', 491), ('S', 233), ('G', 139), ('Q', 124), ('K', 104), ('T', 87), ('R', 67), ('V', 49), ('P', 41), ('N', 38), ('H', 23), ('L', 9), ('I', 7), ('M', 4), ('C', 2), ('Y', 2), ('W', 2)]\n",
      "1166  1.00  0.58 [('E', 1474), ('D', 994), ('Q', 533), ('A', 367), ('G', 93), ('K', 77), ('S', 57), ('L', 56), ('T', 45), ('V', 32), ('H', 30), ('I', 30), ('N', 14), ('M', 10), ('R', 7), ('Y', 5), ('C', 3), ('F', 3)]\n",
      "1167  1.00  0.83 [('A', 666), ('Q', 603), ('L', 587), ('F', 267), ('R', 261), ('G', 258), ('E', 218), ('K', 209), ('Y', 169), ('M', 161), ('I', 109), ('V', 97), ('T', 78), ('S', 46), ('D', 34), ('W', 33), ('P', 13), ('H', 12), ('N', 6), ('C', 3)]\n",
      "1168  0.00  0.00 [('M', 1)]\n",
      "1169  0.00  0.00 [('E', 1)]\n",
      "1170  0.00  0.00 [('Y', 1)]\n",
      "1171  1.00  0.70 [('D', 1068), ('E', 1034), ('A', 549), ('Q', 242), ('R', 203), ('K', 102), ('L', 99), ('T', 90), ('V', 79), ('N', 75), ('H', 66), ('S', 53), ('G', 46), ('P', 39), ('I', 37), ('F', 24), ('M', 10), ('Y', 7), ('C', 4), ('W', 3)]\n",
      "1172  1.00  0.61 [('R', 1947), ('A', 496), ('E', 415), ('W', 159), ('K', 142), ('D', 134), ('Q', 102), ('G', 70), ('S', 65), ('L', 49), ('T', 41), ('N', 38), ('V', 33), ('H', 32), ('I', 29), ('P', 25), ('Y', 21), ('F', 19), ('M', 12)]\n",
      "1173  1.00  0.61 [('V', 1384), ('I', 731), ('L', 539), ('A', 503), ('G', 198), ('F', 186), ('M', 97), ('T', 78), ('Q', 65), ('C', 31), ('Y', 6), ('S', 4), ('R', 3), ('H', 1), ('K', 1), ('E', 1), ('W', 1)]\n",
      "1174  0.47  0.64 [('D', 738), ('V', 305), ('E', 252), ('L', 124), ('T', 115), ('I', 52), ('H', 51), ('A', 49), ('R', 24), ('S', 24), ('G', 15), ('N', 14), ('Q', 13), ('K', 13), ('M', 8), ('Y', 2), ('P', 2), ('F', 1)]\n",
      "1175  0.47  0.70 [('A', 617), ('E', 316), ('R', 226), ('D', 122), ('G', 105), ('T', 78), ('K', 78), ('S', 72), ('Q', 63), ('P', 51), ('H', 27), ('N', 19), ('V', 17), ('L', 9), ('I', 1)]\n",
      "1176  0.47  0.67 [('A', 724), ('R', 283), ('L', 189), ('K', 151), ('E', 101), ('G', 94), ('V', 64), ('Q', 45), ('T', 32), ('S', 24), ('I', 23), ('D', 16), ('F', 10), ('H', 10), ('N', 9), ('M', 9), ('C', 7), ('W', 5), ('Y', 2)]\n",
      "1177  1.00  0.81 [('L', 713), ('M', 587), ('I', 555), ('E', 460), ('R', 279), ('F', 240), ('V', 212), ('D', 176), ('Q', 164), ('K', 113), ('T', 85), ('A', 75), ('H', 64), ('N', 29), ('S', 26), ('G', 16), ('Y', 15), ('W', 12), ('P', 3), ('C', 2)]\n",
      "1178  1.00  0.78 [('A', 936), ('R', 683), ('L', 387), ('K', 351), ('E', 315), ('Q', 259), ('D', 164), ('H', 146), ('T', 125), ('S', 125), ('G', 112), ('N', 82), ('M', 61), ('V', 24), ('Y', 19), ('F', 17), ('I', 9), ('P', 5), ('C', 4), ('W', 2)]\n",
      "1179  0.00  0.00 [('S', 2)]\n",
      "1180  0.00  0.00 [('L', 2)]\n",
      "1181  0.00  0.23 [('N', 1), ('I', 1)]\n",
      "1182  0.00  0.00 [('D', 1)]\n",
      "1183  0.00  0.00 [('N', 1)]\n",
      "1184  1.00  0.72 [('A', 1429), ('G', 378), ('K', 362), ('R', 277), ('E', 276), ('D', 226), ('Q', 212), ('S', 194), ('H', 117), ('T', 112), ('N', 88), ('L', 62), ('V', 35), ('M', 23), ('I', 13), ('F', 9), ('C', 6), ('Y', 6), ('W', 1)]\n",
      "1185  1.00  0.43 [('L', 2266), ('I', 706), ('M', 476), ('V', 151), ('A', 67), ('F', 59), ('W', 34), ('R', 19), ('G', 18), ('T', 9), ('C', 7), ('S', 6), ('P', 5), ('Y', 4), ('K', 1), ('D', 1)]\n",
      "1186  0.75  0.81 [('R', 549), ('Q', 369), ('E', 366), ('A', 333), ('K', 257), ('D', 200), ('T', 198), ('S', 157), ('N', 152), ('H', 78), ('V', 70), ('L', 39), ('G', 30), ('I', 22), ('C', 22), ('P', 19), ('Y', 12), ('M', 9), ('F', 2), ('W', 1)]\n",
      "1187  0.67  0.77 [('A', 566), ('E', 502), ('R', 287), ('G', 209), ('S', 192), ('K', 192), ('D', 164), ('P', 118), ('Q', 117), ('T', 77), ('N', 44), ('H', 30), ('F', 20), ('L', 12), ('V', 10), ('C', 5), ('I', 5), ('M', 3), ('Y', 2), ('W', 1)]\n",
      "1188  0.91  0.79 [('I', 916), ('L', 372), ('T', 368), ('R', 358), ('V', 305), ('A', 288), ('K', 258), ('E', 146), ('S', 120), ('M', 100), ('Q', 76), ('D', 37), ('H', 36), ('P', 35), ('G', 26), ('C', 18), ('N', 16), ('Y', 7), ('F', 6), ('W', 3)]\n",
      "1189  0.53  0.67 [('V', 669), ('A', 346), ('I', 340), ('L', 165), ('C', 142), ('S', 114), ('T', 94), ('F', 67), ('M', 29), ('Q', 22), ('G', 8), ('E', 8), ('N', 5), ('P', 5), ('R', 4), ('K', 4), ('H', 3), ('D', 1)]\n",
      "1190  0.08  0.51 [('A', 169), ('S', 48), ('G', 16), ('E', 15), ('K', 13), ('D', 13), ('N', 10), ('R', 4), ('Q', 4), ('T', 3), ('H', 2), ('V', 2)]\n",
      "1191  0.45  0.73 [('A', 555), ('E', 243), ('K', 187), ('Q', 183), ('S', 106), ('D', 102), ('R', 92), ('N', 87), ('G', 73), ('T', 37), ('H', 24), ('L', 14), ('C', 10), ('I', 7), ('V', 5), ('P', 4), ('M', 2), ('W', 2), ('F', 2), ('Y', 1)]\n",
      "1192  0.10  0.78 [('E', 87), ('A', 70), ('D', 52), ('Q', 37), ('R', 29), ('K', 27), ('S', 22), ('M', 21), ('T', 14), ('N', 13), ('G', 8), ('L', 5), ('H', 4), ('I', 4), ('V', 3), ('P', 2), ('W', 1)]\n",
      "1193  0.00  0.32 [('G', 4), ('A', 4), ('T', 1)]\n",
      "1194  0.28  0.81 [('T', 193), ('R', 129), ('E', 122), ('N', 121), ('K', 116), ('Q', 98), ('A', 82), ('D', 65), ('H', 51), ('S', 41), ('G', 19), ('V', 12), ('C', 10), ('L', 8), ('F', 5), ('Y', 5), ('I', 3), ('P', 3), ('M', 2), ('W', 1)]\n",
      "1195  0.00  0.15 [('A', 5), ('T', 1)]\n",
      "1196  0.02  0.57 [('A', 51), ('V', 12), ('T', 10), ('S', 5), ('L', 4), ('E', 3), ('I', 2), ('R', 2), ('K', 2), ('F', 1), ('M', 1), ('D', 1), ('G', 1), ('C', 1)]\n",
      "1197  0.28  0.75 [('P', 297), ('S', 144), ('A', 129), ('T', 118), ('K', 94), ('E', 88), ('G', 34), ('Q', 32), ('V', 24), ('H', 23), ('I', 16), ('D', 15), ('N', 14), ('R', 12), ('C', 9), ('L', 6), ('F', 2), ('M', 1)]\n",
      "1198  0.36  0.88 [('V', 189), ('F', 186), ('L', 142), ('Y', 134), ('I', 126), ('E', 105), ('T', 92), ('A', 77), ('S', 74), ('D', 69), ('H', 40), ('G', 27), ('W', 23), ('K', 23), ('R', 21), ('Q', 21), ('N', 16), ('P', 15), ('M', 8), ('C', 5)]\n",
      "1199  0.27  0.53 [('V', 541), ('I', 199), ('L', 126), ('K', 41), ('E', 38), ('T', 28), ('A', 17), ('D', 14), ('Q', 9), ('G', 7), ('N', 5), ('R', 5), ('M', 5), ('F', 4), ('P', 2), ('H', 2), ('Y', 2), ('S', 1)]\n",
      "1200  0.00  0.00 [('S', 1)]\n",
      "1201  0.00  0.00 [('G', 1)]\n",
      "1202  0.00  0.00 [('V', 1)]\n",
      "1203  0.00  0.00 [('E', 1)]\n",
      "1204  0.00  0.00 [('I', 1)]\n",
      "1205  0.00  0.00 [('T', 1)]\n",
      "1206  0.00  0.00 [('A', 1)]\n",
      "1207  0.00  0.00 [('E', 1)]\n",
      "1208  0.00  0.00 [('S', 1)]\n",
      "1209  0.00  0.00 [('A', 1)]\n",
      "1210  0.00  0.00 [('E', 1)]\n",
      "1211  0.00  0.21 [('G', 2), ('S', 1)]\n",
      "1212  0.00  0.21 [('L', 2), ('D', 1)]\n",
      "1213  0.00  0.37 [('V', 1), ('T', 1), ('P', 1)]\n",
      "1214  0.00  0.00 [('E', 1)]\n",
      "1215  0.00  0.00 [('K', 1)]\n",
      "1216  0.00  0.00 [('S', 1)]\n",
      "1217  0.00  0.00 [('A', 1)]\n",
      "1218  0.00  0.00 [('A', 1)]\n",
      "1219  0.00  0.00 [('Q', 1)]\n",
      "1220  0.00  0.00 [('G', 1)]\n",
      "1221  0.00  0.00 [('Q', 1)]\n",
      "1222  0.00  0.00 [('A', 1)]\n",
      "1223  0.00  0.00 [('F', 1)]\n",
      "1224  0.00  0.00 [('A', 1)]\n",
      "1225  0.00  0.00 [('S', 1)]\n",
      "1226  0.00  0.00 [('A', 1)]\n",
      "1227  0.00  0.00 [('D', 1)]\n",
      "1228  0.00  0.00 [('Q', 1)]\n",
      "1229  0.00  0.37 [('E', 1), ('D', 1), ('R', 1)]\n",
      "1230  0.00  0.21 [('V', 2), ('G', 1)]\n",
      "1231  0.16  0.23 [('P', 515), ('A', 48), ('S', 31), ('T', 8), ('R', 4), ('G', 2), ('D', 2), ('E', 2), ('V', 2), ('C', 2)]\n",
      "1232  0.11  0.34 [('P', 319), ('A', 64), ('S', 13), ('V', 11), ('T', 10), ('L', 6), ('K', 4), ('E', 2), ('W', 2), ('I', 2), ('G', 1), ('Q', 1), ('C', 1), ('D', 1)]\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1233  0.00  0.17 [('G', 4), ('A', 1)]\n",
      "1234  0.00  0.17 [('T', 4), ('Q', 1)]\n",
      "1235  0.00  0.32 [('F', 3), ('V', 1), ('A', 1)]\n",
      "1236  0.00  0.44 [('P', 2), ('T', 1), ('G', 1), ('Y', 1)]\n",
      "1237  0.00  0.23 [('S', 1), ('A', 1)]\n",
      "1238  0.00  0.23 [('R', 1), ('S', 1)]\n",
      "1239  0.00  0.23 [('Q', 1), ('L', 1)]\n",
      "1240  0.00  0.00 [('V', 1)]\n",
      "1241  0.00  0.00 [('R', 1)]\n",
      "1242  0.00  0.00 [('Q', 1)]\n",
      "1243  0.00  0.23 [('R', 1), ('A', 1)]\n",
      "1244  0.00  0.23 [('D', 1), ('R', 1)]\n",
      "1245  0.00  0.23 [('E', 1), ('A', 1)]\n",
      "1246  0.00  0.23 [('Q', 1), ('R', 1)]\n",
      "1247  0.00  0.46 [('Q', 1), ('I', 1), ('R', 1), ('Y', 1)]\n",
      "1248  0.01  0.60 [('E', 10), ('A', 10), ('S', 9), ('R', 2), ('L', 1), ('Q', 1), ('K', 1), ('G', 1), ('H', 1), ('N', 1)]\n",
      "1249  0.07  0.62 [('N', 88), ('K', 74), ('T', 22), ('G', 16), ('D', 15), ('S', 13), ('Q', 10), ('R', 8), ('E', 4), ('A', 3), ('H', 3), ('V', 1), ('I', 1)]\n",
      "1250  0.25  0.79 [('K', 149), ('Q', 145), ('A', 144), ('R', 112), ('N', 91), ('E', 88), ('D', 45), ('H', 45), ('S', 42), ('L', 38), ('P', 16), ('T', 15), ('G', 15), ('M', 15), ('V', 1)]\n",
      "1251  0.25  0.78 [('L', 225), ('A', 125), ('N', 123), ('H', 103), ('S', 93), ('K', 74), ('R', 63), ('Q', 52), ('T', 36), ('P', 19), ('G', 17), ('E', 16), ('V', 10), ('F', 6), ('D', 5), ('I', 4), ('M', 3), ('C', 1)]\n",
      "1252  0.26  0.70 [('L', 369), ('R', 116), ('A', 99), ('I', 90), ('E', 79), ('V', 79), ('D', 29), ('G', 23), ('Q', 22), ('S', 17), ('T', 14), ('Y', 13), ('K', 13), ('F', 8), ('H', 5), ('M', 3), ('N', 2), ('P', 1)]\n",
      "1253  0.53  0.66 [('P', 881), ('H', 241), ('D', 226), ('E', 181), ('A', 156), ('N', 56), ('K', 54), ('S', 46), ('R', 46), ('T', 41), ('Q', 34), ('F', 19), ('M', 11), ('Y', 10), ('V', 9), ('G', 8), ('L', 5), ('I', 5), ('W', 2), ('C', 1)]\n",
      "1254  0.53  0.50 [('G', 1086), ('D', 451), ('E', 200), ('Q', 69), ('R', 48), ('H', 41), ('K', 40), ('N', 38), ('A', 15), ('L', 14), ('V', 10), ('C', 7), ('S', 6), ('P', 3), ('M', 3), ('Y', 3), ('I', 2), ('W', 2), ('T', 1)]\n",
      "1255  0.19  0.71 [('T', 307), ('V', 123), ('S', 47), ('A', 40), ('H', 36), ('I', 32), ('F', 25), ('R', 24), ('Q', 20), ('L', 20), ('D', 12), ('Y', 12), ('N', 10), ('K', 10), ('E', 9), ('P', 7), ('G', 7), ('M', 4), ('C', 3)]\n",
      "1256  0.00  0.00 [('T', 2)]\n",
      "1257  0.08  0.67 [('S', 116), ('T', 33), ('D', 32), ('G', 26), ('K', 26), ('Q', 20), ('N', 13), ('E', 10), ('R', 9), ('H', 8), ('A', 4), ('I', 2)]\n",
      "1258  0.53  0.58 [('T', 743), ('V', 449), ('A', 446), ('S', 115), ('I', 109), ('Y', 63), ('C', 31), ('G', 22), ('L', 22), ('F', 17), ('E', 10), ('M', 5), ('P', 3), ('D', 1), ('N', 1), ('Q', 1)]\n",
      "1259  0.53  0.76 [('T', 356), ('E', 350), ('S', 346), ('K', 276), ('R', 231), ('Q', 115), ('A', 79), ('H', 64), ('G', 59), ('V', 51), ('D', 41), ('N', 19), ('I', 14), ('L', 12), ('C', 8), ('P', 7), ('W', 4), ('M', 3), ('Y', 3)]\n",
      "1260  0.00  0.36 [('A', 4), ('Y', 4), ('F', 3)]\n",
      "1261  0.07  0.49 [('P', 117), ('A', 61), ('V', 47), ('T', 9), ('S', 6), ('I', 5), ('L', 4), ('R', 3), ('D', 1), ('G', 1)]\n",
      "1262  0.22  0.74 [('V', 235), ('R', 138), ('H', 115), ('S', 113), ('A', 77), ('T', 49), ('Q', 32), ('P', 19), ('L', 18), ('E', 13), ('G', 12), ('D', 8), ('F', 7), ('K', 7), ('Y', 6), ('W', 3), ('M', 3), ('N', 2), ('I', 2), ('C', 1)]\n",
      "1263  0.00  0.00 [('H', 1)]\n",
      "1264  0.00  0.00 [('R', 1)]\n",
      "1265  0.00  0.00 [('G', 1)]\n",
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      "1267  0.47  0.60 [('P', 824), ('D', 238), ('E', 220), ('A', 183), ('N', 91), ('G', 56), ('S', 51), ('K', 33), ('T', 32), ('Q', 26), ('R', 19), ('H', 11), ('V', 4), ('L', 3), ('I', 1), ('C', 1)]\n",
      "1268  0.47  0.52 [('G', 846), ('D', 337), ('R', 327), ('E', 122), ('N', 52), ('A', 32), ('K', 17), ('H', 14), ('Q', 12), ('P', 12), ('S', 11), ('L', 9), ('V', 3), ('I', 1), ('F', 1), ('T', 1)]\n",
      "1269  0.03  0.29 [('D', 52), ('G', 50), ('E', 6)]\n",
      "1270  0.00  0.00 [('A', 1)]\n",
      "1271  0.47  0.51 [('A', 704), ('V', 602), ('T', 218), ('I', 118), ('S', 51), ('C', 39), ('F', 26), ('L', 25), ('M', 5), ('R', 2), ('D', 2), ('P', 1), ('E', 1), ('G', 1)]\n",
      "1272  0.47  0.72 [('R', 523), ('T', 343), ('E', 218), ('S', 158), ('K', 138), ('A', 119), ('V', 78), ('Q', 72), ('G', 59), ('D', 23), ('I', 16), ('N', 14), ('L', 13), ('H', 12), ('P', 5), ('F', 2), ('M', 2), ('C', 2), ('W', 1)]\n",
      "1273  1.00  0.60 [('V', 1137), ('I', 902), ('L', 875), ('A', 326), ('T', 210), ('F', 197), ('S', 57), ('G', 39), ('M', 32), ('C', 32), ('Y', 6), ('Q', 6), ('H', 2), ('E', 2), ('K', 1), ('P', 1), ('R', 1)]\n",
      "1274  1.00  0.73 [('E', 1096), ('T', 889), ('S', 335), ('K', 283), ('R', 226), ('H', 203), ('D', 167), ('A', 163), ('V', 141), ('Q', 112), ('I', 76), ('N', 64), ('L', 19), ('G', 17), ('M', 11), ('F', 9), ('C', 7), ('Y', 6), ('P', 3)]\n",
      "1275  1.00  0.55 [('V', 1659), ('L', 914), ('I', 514), ('F', 316), ('T', 138), ('A', 97), ('R', 52), ('M', 48), ('Y', 19), ('S', 14), ('C', 13), ('K', 12), ('P', 10), ('W', 10), ('Q', 4), ('H', 3), ('N', 1)]\n",
      "1276  0.00  0.52 [('S', 2), ('L', 2), ('E', 1), ('A', 1), ('V', 1)]\n",
      "1277  0.00  0.23 [('G', 1), ('S', 1)]\n",
      "1278  0.85  0.79 [('T', 791), ('E', 478), ('H', 410), ('S', 321), ('R', 261), ('K', 217), ('D', 193), ('A', 110), ('L', 107), ('V', 84), ('Q', 83), ('G', 78), ('N', 50), ('I', 44), ('F', 18), ('Y', 9), ('C', 5), ('M', 5), ('P', 3), ('W', 2)]\n",
      "1279  0.99  0.65 [('G', 1952), ('R', 296), ('T', 212), ('D', 199), ('E', 184), ('V', 184), ('F', 151), ('L', 147), ('S', 113), ('A', 78), ('I', 75), ('H', 53), ('K', 48), ('P', 42), ('M', 28), ('Q', 24), ('N', 18), ('Y', 9), ('C', 5), ('W', 1)]\n",
      "1280  0.00  0.00 [('G', 1)]\n",
      "1281  0.91  0.66 [('G', 1638), ('E', 487), ('L', 212), ('R', 195), ('S', 152), ('I', 136), ('D', 127), ('A', 104), ('Q', 100), ('V', 92), ('T', 88), ('K', 61), ('H', 36), ('N', 33), ('Y', 14), ('P', 13), ('F', 10), ('M', 9), ('C', 8)]\n",
      "1282  0.00  0.00 [('L', 2)]\n",
      "1283  0.00  0.00 [('E', 2)]\n",
      "1284  0.00  0.00 [('A', 2)]\n",
      "1285  0.00  0.00 [('T', 2)]\n",
      "1286  0.00  0.00 [('C', 2)]\n",
      "1287  0.00  0.41 [('V', 4), ('L', 3), ('S', 1), ('I', 1)]\n",
      "1288  0.00  0.53 [('V', 2), ('T', 2), ('R', 2), ('L', 2), ('A', 1)]\n",
      "1289  0.28  0.87 [('I', 162), ('L', 122), ('R', 106), ('K', 103), ('V', 95), ('E', 84), ('Q', 79), ('A', 47), ('M', 46), ('T', 46), ('P', 34), ('G', 34), ('H', 29), ('S', 27), ('N', 23), ('F', 12), ('D', 11), ('W', 1)]\n",
      "1290  0.00  0.68 [('E', 4), ('P', 2), ('D', 2), ('S', 1), ('T', 1), ('R', 1), ('Y', 1), ('W', 1), ('N', 1)]\n",
      "1291  0.00  0.48 [('R', 7), ('K', 3), ('E', 1), ('G', 1), ('M', 1), ('Q', 1)]\n",
      "1292  0.00  0.70 [('F', 3), ('D', 2), ('S', 2), ('P', 2), ('Y', 1), ('L', 1), ('E', 1), ('Q', 1), ('A', 1)]\n",
      "1293  0.00  0.49 [('P', 6), ('K', 2), ('G', 2), ('T', 2), ('S', 2)]\n",
      "1294  0.00  0.50 [('R', 5), ('V', 3), ('L', 3), ('F', 2), ('T', 1)]\n",
      "1295  0.00  0.52 [('P', 5), ('R', 4), ('E', 2), ('M', 1), ('T', 1), ('L', 1)]\n",
      "1296  0.33  0.85 [('G', 194), ('R', 181), ('A', 167), ('T', 114), ('S', 104), ('V', 96), ('N', 79), ('D', 74), ('K', 66), ('Q', 57), ('I', 22), ('E', 22), ('H', 20), ('L', 17), ('P', 12), ('Y', 10), ('M', 9), ('F', 8), ('W', 5), ('C', 4)]\n",
      "1297  0.59  0.74 [('V', 437), ('I', 407), ('F', 301), ('P', 278), ('W', 251), ('L', 250), ('M', 133), ('S', 75), ('G', 53), ('A', 23), ('R', 16), ('T', 14), ('D', 13), ('Q', 10), ('H', 6), ('E', 5), ('K', 3), ('N', 3), ('C', 2), ('Y', 2)]\n",
      "1298  1.00  0.74 [('N', 1199), ('G', 608), ('R', 487), ('T', 385), ('S', 263), ('E', 181), ('H', 136), ('A', 107), ('F', 81), ('V', 64), ('L', 62), ('Y', 61), ('M', 42), ('D', 42), ('I', 42), ('P', 28), ('Q', 25), ('K', 12), ('C', 5)]\n",
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      "1300  0.99  0.28 [('P', 3184), ('L', 185), ('A', 70), ('D', 53), ('V', 50), ('Y', 44), ('N', 43), ('G', 34), ('K', 32), ('S', 22), ('H', 22), ('M', 21), ('Q', 16), ('R', 13), ('E', 13), ('F', 8), ('T', 6), ('I', 5)]\n",
      "1301  0.99  0.34 [('P', 2692), ('V', 469), ('A', 428), ('S', 117), ('T', 42), ('G', 25), ('L', 17), ('C', 14), ('I', 6), ('M', 4), ('E', 2), ('D', 2), ('F', 1), ('R', 1), ('N', 1)]\n",
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      "1307  0.00  0.00 [('L', 1)]\n",
      "1308  0.00  0.00 [('N', 1)]\n",
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      "1310  0.03  0.58 [('Q', 48), ('A', 45), ('E', 11), ('P', 6), ('T', 5), ('R', 5), ('D', 4), ('M', 3), ('L', 2), ('H', 1), ('V', 1), ('S', 1), ('G', 1)]\n",
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      "1331  0.96  0.70 [('E', 1326), ('D', 600), ('A', 414), ('R', 287), ('Q', 203), ('G', 200), ('S', 167), ('K', 121), ('L', 101), ('T', 90), ('N', 33), ('V', 29), ('P', 28), ('H', 22), ('M', 19), ('Y', 16), ('I', 9), ('F', 5), ('C', 4), ('W', 2)]\n",
      "1332  0.95  0.49 [('L', 2282), ('I', 525), ('A', 158), ('M', 140), ('V', 131), ('E', 96), ('Q', 67), ('S', 52), ('H', 50), ('F', 50), ('N', 31), ('T', 21), ('Y', 18), ('C', 14), ('R', 13), ('G', 11), ('D', 5), ('K', 2), ('W', 2), ('P', 1)]\n",
      "1333  0.00  0.67 [('W', 2), ('D', 2), ('S', 2), ('G', 1), ('L', 1), ('F', 1), ('K', 1), ('E', 1)]\n",
      "1334  0.96  0.21 [('G', 3181), ('D', 237), ('N', 81), ('A', 34), ('E', 32), ('K', 27), ('S', 22), ('Q', 22), ('R', 16), ('L', 6), ('H', 5), ('T', 3), ('Y', 3), ('P', 2), ('V', 2), ('C', 1), ('I', 1), ('F', 1)]\n",
      "1335  0.01  0.41 [('G', 15), ('N', 3), ('E', 2), ('Q', 2), ('P', 1), ('V', 1)]\n",
      "1336  0.89  0.73 [('L', 1079), ('F', 637), ('I', 408), ('Q', 326), ('V', 165), ('R', 143), ('M', 135), ('Y', 135), ('H', 71), ('A', 69), ('W', 61), ('G', 46), ('E', 39), ('T', 36), ('K', 28), ('S', 15), ('D', 8), ('P', 6), ('C', 3), ('N', 2)]\n",
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      "1338  0.00  0.00 [('L', 1)]\n",
      "1339  0.00  0.00 [('G', 1)]\n",
      "1340  0.00  0.00 [('Q', 1)]\n",
      "1341  0.00  0.00 [('E', 1)]\n",
      "1342  0.00  0.00 [('N', 1)]\n",
      "1343  0.00  0.00 [('A', 1)]\n",
      "1344  0.00  0.00 [('R', 1)]\n",
      "1345  0.00  0.00 [('L', 1)]\n"
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    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
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      "1348  0.00  0.00 [('T', 1)]\n",
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      "1350  0.00  0.00 [('G', 1)]\n",
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      "1382  0.99  0.38 [('A', 2646), ('G', 429), ('S', 412), ('N', 86), ('Y', 54), ('V', 47), ('T', 37), ('F', 22), ('W', 19), ('C', 15), ('Q', 13), ('M', 12), ('L', 8), ('H', 6), ('I', 5), ('R', 2), ('P', 2), ('E', 1)]\n",
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      "1394  0.97  0.39 [('T', 2235), ('V', 953), ('S', 150), ('N', 119), ('A', 89), ('C', 86), ('G', 76), ('I', 11), ('L', 6), ('Y', 1)]\n",
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      "1399  0.99  0.04 [('G', 3735), ('A', 39), ('S', 37), ('M', 1), ('C', 1)]\n",
      "1400  0.99  0.57 [('A', 1216), ('P', 1019), ('V', 782), ('L', 303), ('I', 199), ('T', 150), ('G', 53), ('C', 53), ('M', 23), ('S', 12), ('Q', 1), ('F', 1), ('E', 1)]\n",
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      "1409  0.99  0.02 [('H', 3791), ('C', 12), ('N', 5), ('Y', 2), ('T', 1), ('P', 1), ('R', 1), ('E', 1)]\n",
      "1410  0.99  0.45 [('A', 1375), ('S', 1188), ('T', 1059), ('G', 57), ('Q', 42), ('N', 41), ('R', 19), ('C', 9), ('E', 5), ('V', 5), ('D', 4), ('L', 3), ('K', 2), ('W', 2), ('I', 1), ('H', 1), ('M', 1)]\n",
      "1411  0.99  0.79 [('P', 798), ('D', 630), ('R', 462), ('E', 427), ('L', 400), ('A', 279), ('S', 139), ('N', 121), ('T', 112), ('V', 106), ('H', 100), ('K', 85), ('I', 61), ('Q', 40), ('F', 20), ('M', 12), ('G', 10), ('W', 6), ('Y', 6)]\n",
      "1412  0.08  0.46 [('D', 210), ('N', 22), ('E', 18), ('T', 18), ('K', 13), ('Q', 8), ('G', 6), ('R', 6), ('A', 6), ('S', 3), ('L', 3), ('H', 2), ('Y', 2)]\n",
      "1413  0.94  0.77 [('D', 746), ('H', 694), ('E', 541), ('G', 292), ('N', 258), ('A', 241), ('Q', 184), ('S', 147), ('R', 146), ('T', 121), ('K', 104), ('Y', 78), ('F', 32), ('L', 15), ('M', 3), ('W', 2), ('I', 2), ('V', 2)]\n",
      "1414  0.00  0.27 [('S', 5), ('D', 1), ('T', 1)]\n"
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     "name": "stdout",
     "output_type": "stream",
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      "1415  0.00  0.32 [('A', 4), ('P', 2), ('T', 1)]\n",
      "1416  0.00  0.14 [('D', 6), ('A', 1)]\n",
      "1417  0.00  0.14 [('G', 6), ('E', 1)]\n",
      "1418  0.00  0.27 [('S', 5), ('G', 1), ('T', 1)]\n",
      "1419  0.00  0.00 [('K', 7)]\n",
      "1420  0.00  0.39 [('L', 4), ('E', 1), ('D', 1), ('V', 1)]\n",
      "1421  0.02  0.47 [('E', 53), ('D', 19), ('N', 9), ('P', 5), ('Q', 4), ('K', 3), ('S', 2), ('V', 1)]\n",
      "1422  0.99  0.00 [('E', 3808), ('K', 2), ('N', 1)]\n",
      "1423  0.99  0.59 [('Y', 1332), ('H', 1156), ('F', 470), ('W', 281), ('T', 201), ('Q', 103), ('R', 80), ('S', 40), ('N', 31), ('K', 26), ('I', 21), ('D', 20), ('C', 12), ('V', 12), ('E', 11), ('A', 7), ('L', 7), ('G', 1), ('M', 1)]\n",
      "1424  0.99  0.56 [('V', 1108), ('I', 991), ('L', 904), ('A', 402), ('M', 183), ('C', 84), ('G', 66), ('T', 60), ('S', 7), ('F', 7)]\n",
      "1425  0.00  0.00 [('L', 1)]\n",
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      "1427  0.00  0.00 [('L', 1)]\n",
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      "1445  0.99  0.68 [('D', 1180), ('S', 663), ('A', 595), ('E', 473), ('P', 213), ('N', 206), ('G', 130), ('K', 108), ('T', 83), ('R', 67), ('Q', 41), ('H', 22), ('V', 13), ('I', 11), ('L', 2), ('Y', 2), ('W', 1), ('M', 1), ('C', 1), ('F', 1)]\n",
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      "1453  0.99  0.34 [('L', 2903), ('R', 276), ('A', 203), ('M', 86), ('F', 86), ('I', 67), ('V', 59), ('T', 57), ('E', 18), ('K', 17), ('Q', 12), ('Y', 11), ('S', 4), ('W', 3), ('G', 3), ('N', 1), ('D', 1), ('C', 1)]\n",
      "1454  0.99  0.60 [('L', 1717), ('A', 430), ('V', 410), ('S', 389), ('T', 306), ('M', 245), ('I', 127), ('F', 74), ('W', 39), ('H', 16), ('N', 15), ('Y', 13), ('C', 12), ('G', 9), ('Q', 3), ('D', 2), ('E', 1)]\n",
      "1455  0.99  0.53 [('A', 2293), ('T', 480), ('S', 184), ('V', 175), ('R', 134), ('L', 77), ('C', 59), ('K', 58), ('I', 57), ('M', 56), ('Y', 54), ('Q', 51), ('H', 44), ('G', 35), ('E', 29), ('F', 13), ('N', 8), ('W', 1)]\n",
      "1456  0.00  0.00 [('S', 1)]\n",
      "1457  0.00  0.00 [('D', 1)]\n",
      "1458  0.00  0.00 [('E', 1)]\n",
      "1459  0.00  0.00 [('R', 1)]\n",
      "1460  0.00  0.00 [('P', 1)]\n",
      "1461  0.00  0.00 [('L', 1)]\n",
      "1462  0.00  0.00 [('T', 1)]\n",
      "1463  0.00  0.00 [('G', 1)]\n",
      "1464  0.00  0.00 [('V', 1)]\n",
      "1465  0.00  0.00 [('P', 1)]\n",
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      "1467  0.99  0.50 [('L', 2184), ('V', 414), ('M', 353), ('T', 276), ('I', 227), ('A', 155), ('F', 97), ('S', 42), ('Y', 33), ('C', 24), ('G', 1)]\n",
      "1468  0.00  0.00 [('A', 1)]\n",
      "1469  0.99  0.49 [('L', 1484), ('I', 1284), ('V', 565), ('M', 230), ('F', 89), ('Y', 79), ('T', 28), ('A', 25), ('C', 19), ('W', 2), ('G', 1)]\n",
      "1470  0.99  0.87 [('A', 603), ('L', 466), ('E', 414), ('M', 398), ('T', 319), ('R', 249), ('Q', 229), ('S', 197), ('Y', 194), ('H', 134), ('K', 120), ('D', 101), ('G', 99), ('V', 92), ('I', 66), ('C', 61), ('N', 46), ('F', 13), ('W', 4), ('P', 1)]\n",
      "1471  0.99  0.76 [('R', 1040), ('A', 496), ('E', 444), ('D', 413), ('T', 383), ('K', 260), ('S', 213), ('G', 103), ('Q', 95), ('H', 89), ('N', 73), ('L', 72), ('V', 45), ('M', 25), ('Y', 23), ('P', 9), ('I', 8), ('F', 4), ('C', 3), ('W', 2)]\n",
      "1472  0.98  0.51 [('L', 2325), ('I', 377), ('V', 377), ('F', 136), ('A', 79), ('Y', 65), ('P', 61), ('M', 54), ('T', 42), ('Q', 40), ('G', 39), ('C', 30), ('H', 27), ('S', 24), ('R', 23), ('E', 18), ('D', 14), ('K', 14), ('N', 13), ('W', 6)]\n",
      "1473  0.88  0.78 [('A', 956), ('S', 474), ('L', 403), ('G', 382), ('R', 224), ('T', 202), ('D', 136), ('E', 119), ('I', 89), ('Q', 76), ('V', 69), ('P', 65), ('C', 52), ('N', 43), ('K', 28), ('H', 20), ('M', 14), ('F', 13), ('W', 13), ('Y', 3)]\n",
      "1474  0.73  0.85 [('A', 411), ('R', 337), ('E', 297), ('Q', 261), ('G', 249), ('K', 240), ('S', 226), ('T', 174), ('N', 158), ('D', 154), ('L', 73), ('H', 63), ('P', 55), ('V', 50), ('I', 18), ('M', 11), ('F', 10), ('Y', 8), ('C', 7), ('W', 3)]\n",
      "1475  0.62  0.84 [('G', 600), ('E', 249), ('A', 220), ('R', 217), ('Q', 146), ('K', 138), ('D', 136), ('P', 124), ('S', 123), ('N', 104), ('T', 85), ('V', 51), ('L', 47), ('H', 42), ('M', 31), ('F', 21), ('I', 17), ('C', 10), ('Y', 9), ('W', 8)]\n",
      "1476  0.50  0.86 [('G', 320), ('K', 248), ('A', 199), ('E', 187), ('P', 185), ('R', 175), ('D', 114), ('S', 95), ('Q', 86), ('L', 59), ('T', 53), ('N', 52), ('V', 41), ('H', 22), ('Y', 20), ('I', 19), ('F', 17), ('M', 15), ('W', 7), ('C', 5)]\n",
      "1477  0.42  0.90 [('L', 238), ('R', 190), ('A', 189), ('P', 131), ('G', 121), ('V', 108), ('S', 98), ('T', 93), ('E', 65), ('K', 58), ('Q', 50), ('D', 49), ('I', 43), ('N', 40), ('F', 40), ('H', 37), ('M', 29), ('W', 24), ('C', 6), ('Y', 4)]\n",
      "1478  0.33  0.89 [('A', 162), ('P', 141), ('G', 126), ('L', 106), ('E', 102), ('K', 101), ('S', 82), ('D', 80), ('R', 77), ('T', 66), ('V', 59), ('N', 35), ('I', 32), ('F', 27), ('Q', 25), ('H', 18), ('C', 7), ('W', 5), ('M', 5), ('Y', 2)]\n",
      "1479  0.23  0.89 [('A', 131), ('G', 110), ('R', 99), ('P', 75), ('E', 67), ('S', 63), ('D', 62), ('K', 53), ('L', 39), ('T', 36), ('V', 30), ('Q', 22), ('C', 18), ('H', 17), ('N', 12), ('W', 10), ('M', 10), ('F', 9), ('I', 7), ('Y', 4)]\n",
      "1480  0.17  0.89 [('A', 86), ('P', 78), ('G', 65), ('R', 50), ('T', 47), ('E', 47), ('D', 47), ('K', 39), ('S', 35), ('L', 32), ('Q', 22), ('H', 22), ('V', 22), ('N', 15), ('I', 14), ('M', 6), ('F', 4), ('C', 3), ('Y', 2), ('W', 2)]\n",
      "1481  0.15  0.86 [('P', 86), ('A', 76), ('E', 57), ('S', 50), ('R', 43), ('G', 42), ('L', 40), ('T', 38), ('D', 38), ('V', 19), ('Q', 19), ('K', 17), ('N', 14), ('H', 12), ('I', 5), ('W', 3), ('F', 3), ('M', 2), ('C', 1), ('Y', 1)]\n",
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      "1483  0.11  0.86 [('R', 57), ('A', 49), ('P', 47), ('S', 41), ('G', 40), ('D', 37), ('L', 34), ('T', 29), ('N', 24), ('E', 23), ('V', 22), ('K', 18), ('Q', 9), ('I', 3), ('H', 3), ('C', 3), ('M', 1), ('Y', 1)]\n",
      "1484  0.11  0.87 [('A', 66), ('R', 60), ('W', 43), ('G', 41), ('P', 38), ('T', 34), ('S', 29), ('E', 19), ('D', 18), ('L', 16), ('N', 12), ('K', 12), ('V', 10), ('Q', 7), ('C', 6), ('H', 6), ('I', 5), ('F', 5), ('M', 3)]\n",
      "1485  0.11  0.81 [('L', 102), ('A', 79), ('P', 35), ('G', 32), ('S', 29), ('R', 27), ('E', 26), ('T', 24), ('D', 20), ('V', 10), ('N', 10), ('I', 9), ('K', 8), ('H', 8), ('Q', 4), ('M', 3), ('W', 3), ('Y', 2)]\n",
      "1486  0.11  0.87 [('R', 59), ('G', 51), ('A', 45), ('S', 38), ('K', 36), ('P', 31), ('T', 29), ('E', 19), ('D', 18), ('I', 17), ('H', 12), ('L', 11), ('Q', 10), ('M', 10), ('V', 9), ('N', 6), ('F', 3), ('C', 3)]\n",
      "1487  0.10  0.89 [('R', 52), ('A', 44), ('G', 39), ('K', 33), ('E', 26), ('P', 25), ('S', 24), ('D', 21), ('L', 19), ('T', 18), ('V', 17), ('Q', 13), ('N', 11), ('H', 10), ('I', 8), ('M', 7), ('F', 6), ('Y', 1)]\n",
      "1488  0.08  0.87 [('A', 48), ('G', 36), ('S', 28), ('P', 26), ('D', 24), ('K', 22), ('T', 20), ('R', 20), ('E', 18), ('Q', 16), ('V', 15), ('L', 10), ('N', 7), ('H', 4), ('I', 4), ('C', 3), ('F', 2), ('M', 2)]\n",
      "1489  0.06  0.81 [('G', 54), ('A', 26), ('P', 21), ('S', 19), ('R', 19), ('T', 17), ('E', 15), ('D', 9), ('V', 8), ('K', 8), ('Q', 7), ('H', 5), ('L', 4), ('W', 2), ('C', 2), ('F', 1), ('M', 1)]\n",
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      "1495  0.03  0.78 [('P', 34), ('A', 9), ('D', 8), ('E', 7), ('R', 7), ('T', 7), ('G', 7), ('Q', 4), ('S', 4), ('C', 3), ('Y', 2), ('V', 2), ('M', 2), ('N', 2), ('L', 1), ('H', 1), ('K', 1)]\n",
      "1496  0.02  0.80 [('A', 16), ('R', 13), ('P', 12), ('G', 8), ('D', 8), ('S', 5), ('H', 5), ('K', 3), ('Q', 3), ('T', 2), ('E', 2), ('L', 2), ('C', 1), ('V', 1), ('I', 1), ('F', 1)]\n",
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      "1498  0.02  0.80 [('R', 19), ('L', 8), ('E', 6), ('Q', 6), ('V', 5), ('A', 5), ('C', 4), ('H', 3), ('P', 3), ('S', 3), ('K', 3), ('G', 2), ('F', 2), ('T', 1), ('D', 1)]\n",
      "1499  0.02  0.76 [('D', 16), ('T', 8), ('A', 7), ('G', 7), ('P', 5), ('V', 4), ('L', 3), ('E', 3), ('H', 2), ('R', 2), ('W', 2), ('S', 2), ('Q', 1)]\n",
      "1500  0.00  0.31 [('P', 5), ('S', 3), ('A', 1)]\n",
      "1501  0.00  0.18 [('G', 7), ('T', 2)]\n",
      "1502  0.01  0.75 [('E', 5), ('R', 4), ('G', 4), ('Q', 3), ('A', 3), ('P', 2), ('N', 2), ('H', 1), ('D', 1), ('K', 1), ('C', 1)]\n",
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      "1504  0.01  0.74 [('A', 7), ('T', 6), ('E', 4), ('G', 4), ('S', 3), ('R', 3), ('L', 2), ('Q', 2), ('P', 1), ('H', 1), ('V', 1)]\n",
      "1505  0.01  0.68 [('G', 8), ('P', 6), ('D', 3), ('V', 2), ('R', 2), ('C', 2), ('K', 2), ('A', 1), ('T', 1), ('S', 1)]\n",
      "1506  0.01  0.71 [('R', 16), ('A', 6), ('D', 6), ('S', 6), ('H', 3), ('E', 3), ('C', 3), ('P', 2), ('Q', 2), ('V', 1), ('G', 1), ('T', 1)]\n",
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      "1508  0.01  0.58 [('P', 7), ('G', 6), ('A', 4), ('E', 1), ('T', 1), ('R', 1), ('N', 1), ('S', 1)]\n",
      "1509  0.01  0.67 [('V', 7), ('A', 4), ('M', 2), ('T', 2), ('Q', 1), ('P', 1), ('N', 1), ('D', 1), ('S', 1), ('L', 1)]\n",
      "1510  0.00  0.68 [('A', 2), ('E', 2), ('L', 2), ('T', 2), ('G', 1), ('P', 1), ('S', 1), ('N', 1)]\n",
      "1511  0.00  0.49 [('G', 6), ('A', 4), ('E', 1), ('P', 1), ('H', 1), ('R', 1)]\n",
      "1512  0.01  0.55 [('D', 13), ('A', 4), ('S', 3), ('G', 3), ('V', 2), ('H', 1), ('K', 1), ('N', 1)]\n",
      "1513  0.01  0.59 [('P', 9), ('Q', 8), ('T', 3), ('A', 2), ('H', 1), ('K', 1), ('R', 1), ('E', 1), ('S', 1)]\n",
      "1514  0.01  0.70 [('L', 9), ('I', 3), ('V', 3), ('P', 2), ('E', 2), ('T', 2), ('D', 1), ('S', 1), ('R', 1), ('N', 1), ('K', 1)]\n"
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    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
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      "1516  0.01  0.73 [('D', 10), ('G', 5), ('A', 4), ('R', 4), ('H', 4), ('T', 3), ('P', 3), ('V', 2), ('S', 1), ('K', 1), ('E', 1)]\n",
      "1517  0.01  0.73 [('R', 9), ('G', 6), ('T', 4), ('A', 3), ('E', 2), ('Q', 2), ('D', 2), ('S', 1), ('H', 1), ('L', 1), ('I', 1), ('V', 1)]\n",
      "1518  0.01  0.52 [('P', 9), ('A', 7), ('S', 5), ('R', 2), ('T', 2), ('H', 1)]\n",
      "1519  0.01  0.43 [('G', 16), ('V', 3), ('A', 3), ('Q', 1), ('N', 1), ('L', 1), ('D', 1)]\n",
      "1520  0.01  0.67 [('E', 6), ('C', 4), ('A', 3), ('W', 3), ('Q', 2), ('T', 2), ('S', 1), ('D', 1), ('Y', 1)]\n",
      "1521  0.01  0.62 [('N', 5), ('D', 5), ('E', 5), ('A', 3), ('S', 1), ('C', 1), ('P', 1), ('T', 1)]\n",
      "1522  0.01  0.65 [('H', 8), ('R', 6), ('A', 3), ('T', 2), ('P', 1), ('Q', 1), ('N', 1), ('I', 1), ('D', 1), ('G', 1)]\n",
      "1523  0.01  0.62 [('A', 7), ('P', 5), ('G', 5), ('D', 3), ('E', 2), ('S', 1), ('V', 1), ('T', 1)]\n",
      "1524  0.01  0.45 [('R', 14), ('T', 2), ('W', 2), ('G', 2), ('P', 1), ('S', 1), ('C', 1)]\n",
      "1525  0.01  0.46 [('R', 9), ('G', 5), ('D', 3), ('P', 2), ('A', 1)]\n",
      "1526  0.01  0.65 [('D', 8), ('P', 3), ('T', 2), ('V', 2), ('R', 2), ('A', 2), ('G', 1), ('L', 1), ('M', 1)]\n",
      "1527  0.00  0.33 [('R', 10), ('G', 1), ('T', 1), ('K', 1), ('P', 1)]\n",
      "1528  0.00  0.49 [('R', 3), ('Q', 3), ('E', 1), ('H', 1), ('P', 1)]\n",
      "1529  0.00  0.00 [('G', 1)]\n",
      "1530  0.00  0.31 [('T', 7), ('V', 1), ('I', 1), ('A', 1)]\n",
      "1531  0.00  0.20 [('A', 9), ('G', 1), ('S', 1)]\n",
      "1532  0.00  0.36 [('G', 6), ('R', 2), ('H', 1), ('A', 1)]\n",
      "1533  0.00  0.42 [('E', 5), ('G', 4), ('A', 3), ('P', 1)]\n",
      "1534  0.00  0.45 [('T', 7), ('Y', 1), ('R', 1), ('I', 1), ('V', 1), ('L', 1)]\n",
      "1535  0.00  0.37 [('A', 8), ('G', 1), ('V', 1), ('T', 1), ('D', 1)]\n",
      "1536  0.00  0.00 [('G', 5)]\n",
      "1537  0.00  0.41 [('T', 3), ('A', 1), ('E', 1), ('V', 1)]\n",
      "1538  0.00  0.34 [('G', 3), ('S', 2), ('T', 1)]\n",
      "1539  0.00  0.41 [('P', 6), ('D', 1), ('A', 1), ('H', 1), ('I', 1)]\n",
      "1540  0.00  0.00 [('R', 1)]\n",
      "1541  0.00  0.00 [('D', 1)]\n",
      "1542  0.00  0.00 [('E', 1)]\n",
      "1543  0.00  0.00 [('T', 1)]\n",
      "1544  0.00  0.00 [('E', 1)]\n",
      "1545  0.00  0.00 [('M', 1)]\n",
      "1546  0.00  0.00 [('D', 1)]\n",
      "1547  0.00  0.00 [('R', 1)]\n",
      "1548  0.00  0.00 [('L', 1)]\n",
      "1549  0.00  0.00 [('Q', 1)]\n",
      "1550  0.00  0.00 [('P', 1)]\n",
      "1551  0.00  0.00 [('I', 1)]\n",
      "1552  0.00  0.00 [('S', 1)]\n",
      "1553  0.00  0.00 [('A', 1)]\n",
      "1554  0.00  0.00 [('L', 1)]\n",
      "1555  0.00  0.00 [('L', 1)]\n",
      "1556  0.00  0.00 [('V', 1)]\n",
      "1557  0.00  0.00 [('S', 1)]\n",
      "1558  0.00  0.00 [('V', 1)]\n",
      "1559  0.00  0.19 [('F', 3), ('W', 1)]\n",
      "1560  0.00  0.19 [('G', 3), ('Q', 1)]\n",
      "1561  0.00  0.35 [('L', 2), ('N', 1), ('G', 1)]\n",
      "1562  0.00  0.52 [('G', 2), ('R', 2), ('H', 1), ('A', 1), ('E', 1)]\n",
      "1563  0.00  0.23 [('E', 1), ('P', 1)]\n",
      "1564  0.00  0.23 [('T', 1), ('D', 1)]\n",
      "1565  0.00  0.15 [('G', 5), ('E', 1)]\n",
      "1566  0.00  0.50 [('S', 3), ('T', 3), ('E', 2), ('H', 1), ('P', 1)]\n",
      "1567  0.00  0.51 [('S', 3), ('T', 2), ('P', 2), ('A', 1), ('V', 1)]\n",
      "1568  0.00  0.21 [('M', 2), ('A', 1)]\n",
      "1569  0.00  0.21 [('D', 2), ('N', 1)]\n",
      "1570  0.00  0.58 [('S', 2), ('T', 2), ('E', 2), ('V', 1), ('A', 1), ('D', 1)]\n",
      "1571  0.00  0.48 [('D', 4), ('E', 2), ('R', 1), ('T', 1), ('A', 1)]\n",
      "1572  0.00  0.41 [('G', 4), ('L', 3), ('R', 1), ('H', 1)]\n",
      "1573  0.00  0.58 [('R', 2), ('E', 1), ('D', 1), ('L', 1), ('M', 1), ('V', 1)]\n",
      "1574  0.00  0.52 [('K', 2), ('D', 1), ('G', 1), ('R', 1), ('E', 1)]\n",
      "1575  0.00  0.32 [('S', 3), ('Q', 1), ('K', 1)]\n",
      "1576  0.00  0.35 [('L', 2), ('T', 1), ('V', 1)]\n",
      "1577  0.00  0.19 [('G', 3), ('E', 1)]\n",
      "1578  0.00  0.21 [('H', 2), ('E', 1)]\n",
      "1579  0.00  0.21 [('V', 2), ('A', 1)]\n",
      "1580  0.00  0.37 [('E', 1), ('G', 1), ('I', 1)]\n",
      "1581  0.00  0.37 [('T', 1), ('S', 1), ('I', 1)]\n",
      "1582  0.00  0.37 [('G', 1), ('A', 1), ('V', 1)]\n",
      "1583  0.00  0.00 [('V', 1)]\n",
      "1584  0.00  0.23 [('T', 1), ('D', 1)]\n",
      "1585  0.00  0.23 [('A', 1), ('R', 1)]\n",
      "1586  0.00  0.37 [('P', 1), ('A', 1), ('L', 1)]\n",
      "1587  0.00  0.37 [('L', 1), ('Y', 1), ('Q', 1)]\n",
      "1588  0.00  0.21 [('D', 2), ('E', 1)]\n",
      "1589  0.00  0.37 [('A', 1), ('R', 1), ('G', 1)]\n",
      "1590  0.00  0.21 [('G', 2), ('A', 1)]\n",
      "1591  0.00  0.21 [('G', 2), ('D', 1)]\n",
      "1592  0.00  0.23 [('I', 1), ('E', 1)]\n",
      "1593  0.00  0.37 [('T', 1), ('L', 1), ('A', 1)]\n",
      "1594  0.00  0.21 [('A', 2), ('C', 1)]\n",
      "1595  0.00  0.23 [('G', 1), ('S', 1)]\n",
      "1596  0.00  0.23 [('V', 1), ('E', 1)]\n",
      "1597  0.00  0.23 [('A', 1), ('R', 1)]\n",
      "1598  0.00  0.23 [('V', 1), ('R', 1)]\n",
      "1599  0.00  0.23 [('L', 1), ('A', 1)]\n",
      "1600  0.00  0.23 [('V', 1), ('L', 1)]\n",
      "1601  0.00  0.23 [('V', 1), ('L', 1)]\n",
      "1602  0.00  0.23 [('S', 1), ('G', 1)]\n",
      "1603  0.00  0.00 [('P', 2)]\n",
      "1604  0.00  0.00 [('G', 2)]\n",
      "1605  0.00  0.23 [('A', 1), ('S', 1)]\n",
      "1606  0.00  0.00 [('V', 2)]\n",
      "1607  0.00  0.23 [('S', 1), ('F', 1)]\n",
      "1608  0.00  0.23 [('A', 1), ('E', 1)]\n",
      "1609  0.00  0.23 [('Y', 1), ('L', 1)]\n",
      "1610  0.00  0.23 [('S', 1), ('R', 1)]\n",
      "1611  0.00  0.23 [('L', 1), ('Q', 1)]\n",
      "1612  0.00  0.00 [('L', 1)]\n",
      "1613  0.00  0.00 [('A', 1)]\n",
      "1614  0.00  0.00 [('G', 1)]\n",
      "1615  0.00  0.00 [('V', 1)]\n",
      "1616  0.00  0.00 [('L', 1)]\n",
      "1617  0.00  0.23 [('P', 1), ('S', 1)]\n",
      "1618  0.00  0.00 [('G', 2)]\n",
      "1619  0.00  0.23 [('N', 1), ('Q', 1)]\n",
      "1620  0.00  0.23 [('A', 1), ('V', 1)]\n",
      "1621  0.00  0.00 [('D', 2)]\n",
      "1622  0.00  0.23 [('Q', 1), ('R', 1)]\n",
      "1623  0.00  0.23 [('G', 1), ('D', 1)]\n",
      "1624  0.00  0.23 [('V', 1), ('R', 1)]\n",
      "1625  0.00  0.00 [('G', 1)]\n",
      "1626  0.00  0.00 [('F', 1)]\n",
      "1627  0.00  0.00 [('A', 1)]\n",
      "1628  0.00  0.00 [('L', 1)]\n",
      "1629  0.00  0.00 [('K', 1)]\n",
      "1630  0.00  0.00 [('Q', 1)]\n",
      "1631  0.00  0.00 [('H', 1)]\n",
      "1632  0.00  0.00 [('Q', 1)]\n",
      "1633  0.00  0.00 [('R', 1)]\n",
      "1634  0.00  0.00 [('A', 1)]\n",
      "1635  0.00  0.00 [('W', 1)]\n",
      "1636  0.00  0.00 [('A', 1)]\n",
      "1637  0.00  0.00 [('L', 1)]\n",
      "1638  0.00  0.00 [('A', 1)]\n",
      "1639  0.00  0.00 [('R', 1)]\n",
      "1640  0.00  0.00 [('D', 1)]\n",
      "1641  0.00  0.00 [('I', 1)]\n",
      "1642  0.00  0.00 [('E', 1)]\n",
      "1643  0.00  0.00 [('A', 1)]\n",
      "1644  0.00  0.00 [('I', 1)]\n",
      "1645  0.00  0.00 [('R', 1)]\n",
      "1646  0.00  0.00 [('W', 1)]\n",
      "1647  0.00  0.00 [('T', 1)]\n",
      "1648  0.00  0.00 [('F', 1)]\n",
      "1649  0.00  0.00 [('D', 1)]\n",
      "1650  0.00  0.00 [('P', 1)]\n",
      "1651  0.00  0.00 [('L', 1)]\n",
      "1652  0.00  0.00 [('V', 1)]\n",
      "1653  0.00  0.00 [('S', 1)]\n",
      "1654  0.00  0.00 [('R', 1)]\n",
      "1655  0.00  0.00 [('N', 1)]\n",
      "1656  0.00  0.00 [('A', 1)]\n",
      "1657  0.00  0.00 [('R', 1)]\n",
      "1658  0.00  0.00 [('F', 1)]\n",
      "1659  0.00  0.00 [('N', 1)]\n",
      "1660  0.00  0.00 [('L', 1)]\n",
      "1661  0.00  0.00 [('T', 1)]\n",
      "1662  0.00  0.00 [('K', 1)]\n",
      "1663  0.00  0.00 [('L', 1)]\n",
      "1664  0.00  0.00 [('G', 1)]\n",
      "1665  0.00  0.00 [('A', 1)]\n",
      "1666  0.00  0.00 [('H', 1)]\n",
      "1667  0.00  0.00 [('S', 1)]\n",
      "1668  0.00  0.00 [('S', 1)]\n",
      "1669  0.00  0.00 [('E', 1)]\n",
      "1670  0.00  0.00 [('Y', 1)]\n",
      "1671  0.00  0.00 [('T', 1)]\n",
      "1672  0.00  0.00 [('R', 1)]\n",
      "1673  0.00  0.00 [('N', 1)]\n",
      "1674  0.00  0.00 [('F', 1)]\n",
      "1675  0.00  0.00 [('Y', 1)]\n",
      "1676  0.00  0.00 [('G', 1)]\n",
      "1677  0.00  0.00 [('A', 1)]\n",
      "1678  0.00  0.00 [('M', 1)]\n",
      "1679  0.00  0.00 [('S', 1)]\n",
      "1680  0.00  0.00 [('G', 1)]\n",
      "1681  0.00  0.00 [('S', 1)]\n",
      "1682  0.00  0.00 [('I', 1)]\n",
      "1683  0.00  0.00 [('N', 1)]\n",
      "1684  0.00  0.00 [('A', 1)]\n",
      "1685  0.00  0.00 [('N', 1)]\n",
      "1686  0.00  0.00 [('D', 1)]\n",
      "1687  0.00  0.00 [('E', 1)]\n",
      "1688  0.00  0.00 [('S', 1)]\n",
      "1689  0.00  0.00 [('D', 1)]\n",
      "1690  0.00  0.00 [('R', 1)]\n",
      "1691  0.00  0.00 [('L', 1)]\n",
      "1692  0.00  0.00 [('T', 1)]\n",
      "1693  0.00  0.00 [('A', 1)]\n",
      "1694  0.00  0.00 [('H', 1)]\n",
      "1695  0.00  0.00 [('W', 1)]\n",
      "1696  0.00  0.00 [('P', 1)]\n",
      "1697  0.00  0.00 [('L', 1)]\n",
      "1698  0.00  0.00 [('T', 1)]\n",
      "1699  0.00  0.00 [('S', 1)]\n",
      "1700  0.00  0.00 [('D', 1)]\n",
      "1701  0.00  0.00 [('L', 1)]\n",
      "1702  0.00  0.00 [('A', 1)]\n",
      "1703  0.00  0.00 [('I', 1)]\n",
      "1704  0.00  0.00 [('A', 1)]\n",
      "1705  0.00  0.00 [('C', 1)]\n",
      "1706  0.00  0.00 [('S', 1)]\n",
      "1707  0.00  0.00 [('E', 1)]\n",
      "1708  0.00  0.00 [('G', 1)]\n",
      "1709  0.00  0.00 [('R', 1)]\n",
      "1710  0.00  0.00 [('P', 1)]\n",
      "1711  0.00  0.00 [('E', 1)]\n",
      "1712  0.00  0.00 [('T', 1)]\n",
      "1713  0.00  0.00 [('T', 1)]\n",
      "1714  0.00  0.00 [('D', 1)]\n",
      "1715  0.00  0.00 [('L', 1)]\n",
      "1716  0.00  0.00 [('P', 1)]\n",
      "1717  0.00  0.00 [('P', 1)]\n",
      "1718  0.00  0.00 [('F', 1)]\n",
      "1719  0.00  0.00 [('S', 1)]\n",
      "1720  0.00  0.00 [('P', 1)]\n",
      "1721  0.00  0.00 [('D', 1)]\n",
      "1722  0.00  0.00 [('Q', 1)]\n",
      "1723  0.00  0.00 [('V', 1)]\n",
      "1724  0.00  0.00 [('R', 1)]\n",
      "1725  0.00  0.00 [('E', 1)]\n",
      "1726  0.00  0.00 [('L', 1)]\n",
      "1727  0.00  0.00 [('G', 1)]\n",
      "1728  0.00  0.00 [('P', 1)]\n",
      "1729  0.00  0.00 [('D', 1)]\n",
      "1730  0.00  0.00 [('D', 1)]\n",
      "1731  0.00  0.00 [('Q', 1)]\n",
      "1732  0.00  0.00 [('P', 1)]\n",
      "1733  0.00  0.00 [('A', 1)]\n",
      "1734  0.00  0.00 [('L', 1)]\n",
      "1735  0.00  0.00 [('V', 1)]\n",
      "1736  0.00  0.00 [('E', 1)]\n",
      "1737  0.00  0.00 [('T', 1)]\n",
      "1738  0.00  0.00 [('A', 1)]\n",
      "1739  0.00  0.00 [('G', 1)]\n",
      "1740  0.00  0.00 [('A', 1)]\n",
      "1741  0.00  0.00 [('L', 1)]\n",
      "1742  0.00  0.00 [('W', 1)]\n",
      "1743  0.00  0.00 [('C', 1)]\n",
      "1744  0.00  0.00 [('R', 1)]\n",
      "1745  0.00  0.00 [('V', 1)]\n",
      "1746  0.00  0.00 [('P', 1)]\n",
      "1747  0.00  0.00 [('T', 1)]\n",
      "1748  0.00  0.00 [('D', 1)]\n",
      "1749  0.00  0.00 [('I', 1)]\n",
      "1750  0.00  0.00 [('V', 1)]\n",
      "1751  0.00  0.00 [('G', 1)]\n",
      "1752  0.00  0.00 [('L', 1)]\n",
      "1753  0.00  0.00 [('R', 1)]\n",
      "1754  0.00  0.00 [('G', 1)]\n",
      "1755  0.00  0.00 [('Q', 1)]\n",
      "1756  0.00  0.00 [('S', 1)]\n",
      "1757  0.00  0.00 [('P', 1)]\n",
      "1758  0.00  0.00 [('I', 1)]\n",
      "1759  0.00  0.00 [('L', 1)]\n",
      "1760  0.00  0.00 [('A', 1)]\n",
      "1761  0.00  0.00 [('A', 1)]\n",
      "1762  0.00  0.00 [('D', 1)]\n",
      "1763  0.00  0.00 [('W', 1)]\n",
      "1764  0.00  0.00 [('R', 1)]\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1765  0.00  0.00 [('R', 1)]\n",
      "1766  0.00  0.00 [('F', 1)]\n",
      "1767  0.00  0.00 [('A', 1)]\n",
      "1768  0.00  0.00 [('R', 1)]\n",
      "1769  0.00  0.00 [('N', 1)]\n",
      "1770  0.00  0.00 [('V', 1)]\n",
      "1771  0.00  0.00 [('F', 1)]\n",
      "1772  0.00  0.00 [('A', 1)]\n",
      "1773  0.00  0.00 [('T', 1)]\n",
      "1774  0.00  0.00 [('N', 1)]\n",
      "1775  0.00  0.00 [('F', 1)]\n",
      "1776  0.00  0.00 [('S', 1)]\n",
      "1777  0.00  0.00 [('S', 1)]\n",
      "1778  0.00  0.00 [('G', 1)]\n",
      "1779  0.00  0.00 [('H', 1)]\n",
      "1780  0.00  0.00 [('I', 1)]\n",
      "1781  0.00  0.00 [('A', 1)]\n",
      "1782  0.00  0.00 [('R', 1)]\n",
      "1783  0.00  0.00 [('G', 1)]\n",
      "1784  0.00  0.00 [('V', 1)]\n",
      "1785  0.00  0.00 [('T', 1)]\n",
      "1786  0.00  0.00 [('R', 1)]\n",
      "1787  0.00  0.00 [('A', 1)]\n",
      "1788  0.00  0.00 [('G', 1)]\n",
      "1789  0.00  0.00 [('W', 1)]\n",
      "1790  0.00  0.00 [('Y', 1)]\n",
      "1791  0.00  0.00 [('R', 1)]\n",
      "1792  0.00  0.00 [('L', 1)]\n",
      "1793  0.00  0.00 [('A', 1)]\n",
      "1794  0.00  0.00 [('T', 1)]\n",
      "1795  0.00  0.00 [('G', 1)]\n",
      "1796  0.00  0.00 [('G', 1)]\n",
      "1797  0.00  0.00 [('Q', 1)]\n",
      "1798  0.00  0.00 [('Q', 1)]\n"
     ]
    }
   ],
   "source": [
    "\n",
    "print(scipy.stats.entropy([1/20 for i in range(20)], base=20))\n",
    "\n",
    "\n",
    "aa = [\"A\", \"R\", \"N\", \"D\", \"C\", \"E\", \"Q\", \"G\", \"H\", \"I\", \"L\", \"K\", \"M\", \"F\", \"P\", \"S\", \"T\", \"W\", \"Y\", \"V\"]\n",
    "\n",
    "seqs = []  # [[...], ...]\n",
    "# with open(\"data/P06621_refseq_selected_blast_msa.fasta\") as f:\n",
    "with open(\"data/P06621_refseq_selected_blast_clustal.fasta\") as f:\n",
    "    for record in AlignIO.read(f, \"fasta\"):\n",
    "        seqs.append(list(record.seq))  # store sequence as a list of characters\n",
    "\n",
    "\n",
    "seqs = np.array(seqs, dtype=\"str\")\n",
    "for i, column in enumerate(seqs.T):\n",
    "    \n",
    "    # count AA in column\n",
    "    count = Counter(column)\n",
    "    count.pop('-')\n",
    "    count_sorted = sorted(count.items(), key=lambda x:x[1], reverse=True)\n",
    "    \n",
    "    # count non gap AA\n",
    "    non_gap = np.count_nonzero(column != \"-\")\n",
    "    \n",
    "    occupancy = non_gap / column.size\n",
    "    \n",
    "    # AA probability in column (gap excluded)\n",
    "#     probabilities = [count.get(k, 0.0) / column.size for k in aa]  \n",
    "    probabilities = [count.get(k, 0.0) / non_gap for k in aa]  \n",
    "\n",
    "    # Zero entropy = complete conservation\n",
    "    entropy = scipy.stats.entropy(probabilities, base=20)  \n",
    "\n",
    "    print(\"{} {:>5.2f} {:>5.2f} {}\".format(i, \n",
    "                                         occupancy, \n",
    "                                         entropy,\n",
    "                                         count_sorted))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "e37bdd23",
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3 (ipykernel)",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
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