{ "cells": [ { "cell_type": "markdown", "id": "ac64343b-1edd-4dd7-9b21-889e4429bdcd", "metadata": {}, "source": [ "# Rstoolbox Plot API\n", "\n", "@Author: 吴炜坤\n", "\n", "@email:weikun.wu@xtalpi.com/weikunwu@163.com" ] }, { "cell_type": "markdown", "id": "0cbcffee-9896-4cdd-8257-c639fb088faf", "metadata": {}, "source": [ "在上一章节,我们已经介绍了最重要,且最基础的rstoolbox的使用方法。在这一节,我们尝试撰写一些rstoolbox的作图API以及蛋白设计筛选的。\n", "\n", "目前发现就两个比较有用:\n", "- 突变频率分析\n", "- 序列相似性分析\n", "\n", "更多API请阅读:\n", "http://jaumebonet.cat/RosettaSilentToolbox/tutorial.html" ] }, { "cell_type": "code", "execution_count": 36, "id": "caa54b76-e03b-4e72-9f78-8d73298759a8", "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "PyRosetta-4 2021 [Rosetta PyRosetta4.conda.mac.cxx11thread.serialization.python37.Release 2021.26+release.b308454c455dd04f6824cc8b23e54bbb9be2cdd7 2021-07-02T13:01:54] retrieved from: http://www.pyrosetta.org\n", "(C) Copyright Rosetta Commons Member Institutions. Created in JHU by Sergey Lyskov and PyRosetta Team.\n", "\u001b[0mcore.init: {0} \u001b[0mChecking for fconfig files in pwd and ./rosetta/flags\n", "\u001b[0mcore.init: {0} \u001b[0mRosetta version: PyRosetta4.conda.mac.cxx11thread.serialization.python37.Release r288 2021.26+release.b308454c455 b308454c455dd04f6824cc8b23e54bbb9be2cdd7 http://www.pyrosetta.org 2021-07-02T13:01:54\n", "\u001b[0mcore.init: {0} \u001b[0mcommand: PyRosetta -ex1 -ex2aro -database /opt/miniconda3/lib/python3.7/site-packages/pyrosetta/database\n", "\u001b[0mbasic.random.init_random_generator: {0} \u001b[0m'RNG device' seed mode, using '/dev/urandom', seed=-1116185448 seed_offset=0 real_seed=-1116185448 thread_index=0\n", "\u001b[0mbasic.random.init_random_generator: {0} \u001b[0mRandomGenerator:init: Normal mode, seed=-1116185448 RG_type=mt19937\n" ] } ], "source": [ "# 初始化pyrosetta\n", "from pyrosetta import *\n", "init()\n", "# 初始化\n", "import rstoolbox as rs\n", "from rstoolbox.io import parse_rosetta_file\n", "import pandas as pd\n", "import matplotlib.pyplot as plt\n", "import seaborn as sns" ] }, { "cell_type": "markdown", "id": "963b3752-1d59-4f8b-b127-d0406f5c8468", "metadata": {}, "source": [ "### 1. 突变频率分析\n", "rstoolbox也可以非常方便地分析RosettaDesign之后的一大批序列上每个位点的频率,类型等。" ] }, { "cell_type": "code", "execution_count": 24, "id": "19a93ab5-d4ea-4ec5-8f8d-1963a20602f1", "metadata": {}, "outputs": [ { "data": { "text/html": [ "
| \n", " | score | \n", "fa_atr | \n", "description | \n", "sequence_A | \n", "
|---|---|---|---|---|
| 0 | \n", "-115.348 | \n", "-248.220 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032157.pdb | \n", "SHIEEIFKELQRQNASNLREFVEEAWRRGEMSEELYKKMKKIV | \n", "
| 1 | \n", "-111.579 | \n", "-239.381 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032313.pdb | \n", "SVEEIVKKMIKKASGASREQIKKLAEKIPGVDERVIKMAERLI | \n", "
| 2 | \n", "-107.145 | \n", "-245.738 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032428.pdb | \n", "SEEEKEFLKRVKDKDPELAKKMQKLLENGYASIEQLQKQLEKR | \n", "
| 3 | \n", "-116.810 | \n", "-243.867 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032600.pdb | \n", "SEIEELAKRLLKDSRGDLRKLLEELQRNNQPNYQYVEHLLRKY | \n", "
| 4 | \n", "-121.064 | \n", "-244.426 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032649.pdb | \n", "TPLDEEARRAFQRNSSTAQELLKQLERDSRADPRVIEELRRLK | \n", "
| 5 | \n", "-118.053 | \n", "-246.797 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032655.pdb | \n", "SEEVKKILKELLKDKDKQEALKKWAKKAGLTDEHVRRLMKKIM | \n", "
| 6 | \n", "-104.212 | \n", "-233.769 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032822.pdb | \n", "DPKTEELIKQYQRKERSEEMMEELRKKANNRNKEMIKKARKDG | \n", "
| 7 | \n", "-111.605 | \n", "-241.044 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032833.pdb | \n", "TEVEEILKRAAKKPDHKFREIFRELIERNLANELAKQILKELG | \n", "
| 8 | \n", "-114.042 | \n", "-232.848 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032943.pdb | \n", "SPEEFEKLKEKAKRENNEEVLRKLEEAAKNASEEEIKELKRQI | \n", "
| 9 | \n", "-99.049 | \n", "-240.205 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032955.pdb | \n", "SEIEERLEKLARSETGTEEQMRQLAKKYEDPSAREFLKRYREK | \n", "
| \n", " | score | \n", "fa_atr | \n", "description | \n", "sequence_A | \n", "mutants_A | \n", "mutant_positions_A | \n", "mutant_count_A | \n", "
|---|---|---|---|---|---|---|---|
| 0 | \n", "-115.348 | \n", "-248.220 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032157.pdb | \n", "SHIEEIFKELQRQNASNLREFVEEAWRRGEMSEELYKKMKKIV | \n", "\n", " | \n", " | 0 | \n", "
| 1 | \n", "-111.579 | \n", "-239.381 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032313.pdb | \n", "SVEEIVKKMIKKASGASREQIKKLAEKIPGVDERVIKMAERLI | \n", "H2V,I3E,E5I,I6V,F7K,E9M,L10I,Q11K,R12K,Q13A,N14S,A15G,S16A,N17S,L18R,R19E,E20Q,F21I,V22K,E23K,E24L,W26E,R27K,R28I,G29P,E30G,M31V,S32D,E34R,L35V,Y36I,K38M,M39A,K40E,K41R,I42L,V43I | \n", "2,3,5,6,7,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,26,27,28,29,30,31,32,34,35,36,38,39,40,41,42,43 | \n", "37 | \n", "
| 2 | \n", "-107.145 | \n", "-245.738 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032428.pdb | \n", "SEEEKEFLKRVKDKDPELAKKMQKLLENGYASIEQLQKQLEKR | \n", "H2E,I3E,E5K,I6E,K8L,E9K,L10R,Q11V,R12K,Q13D,N14K,A15D,S16P,N17E,R19A,E20K,F21K,V22M,E23Q,E24K,A25L,W26L,R27E,R28N,E30Y,M31A,E33I,L35Q,Y36L,K37Q,M39Q,K40L,K41E,I42K,V43R | \n", "2,3,5,6,8,9,10,11,12,13,14,15,16,17,19,20,21,22,23,24,25,26,27,28,30,31,33,35,36,37,39,40,41,42,43 | \n", "35 | \n", "
| 3 | \n", "-116.810 | \n", "-243.867 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032600.pdb | \n", "SEIEELAKRLLKDSRGDLRKLLEELQRNNQPNYQYVEHLLRKY | \n", "H2E,I6L,F7A,E9R,Q11L,R12K,Q13D,N14S,A15R,S16G,N17D,E20K,F21L,V22L,A25L,W26Q,R28N,G29N,E30Q,M31P,S32N,E33Y,E34Q,L35Y,Y36V,K37E,K38H,M39L,K40L,K41R,I42K,V43Y | \n", "2,6,7,9,11,12,13,14,15,16,17,20,21,22,25,26,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43 | \n", "32 | \n", "
| 4 | \n", "-121.064 | \n", "-244.426 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032649.pdb | \n", "TPLDEEARRAFQRNSSTAQELLKQLERDSRADPRVIEELRRLK | \n", "S1T,H2P,I3L,E4D,I6E,F7A,K8R,E9R,L10A,Q11F,R12Q,Q13R,A15S,N17T,L18A,R19Q,F21L,V22L,E23K,E24Q,A25L,W26E,R28D,G29S,E30R,M31A,S32D,E33P,E34R,L35V,Y36I,K37E,K38E,M39L,K40R,K41R,I42L,V43K | \n", "1,2,3,4,6,7,8,9,10,11,12,13,15,17,18,19,21,22,23,24,25,26,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43 | \n", "38 | \n", "
| 5 | \n", "-118.053 | \n", "-246.797 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032655.pdb | \n", "SEEVKKILKELLKDKDKQEALKKWAKKAGLTDEHVRRLMKKIM | \n", "H2E,I3E,E4V,E5K,I6K,F7I,K8L,E9K,L10E,Q11L,R12L,Q13K,N14D,A15K,S16D,N17K,L18Q,R19E,E20A,F21L,V22K,E23K,E24W,W26K,R27K,R28A,E30L,M31T,S32D,E34H,L35V,Y36R,K37R,K38L,V43M | \n", "2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,26,27,28,30,31,32,34,35,36,37,38,43 | \n", "35 | \n", "
| 6 | \n", "-104.212 | \n", "-233.769 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032822.pdb | \n", "DPKTEELIKQYQRKERSEEMMEELRKKANNRNKEMIKKARKDG | \n", "S1D,H2P,I3K,E4T,I6E,F7L,K8I,E9K,L10Q,Q11Y,R12Q,Q13R,N14K,A15E,S16R,N17S,L18E,R19E,E20M,F21M,V22E,E24L,A25R,W26K,R27K,R28A,G29N,E30N,M31R,S32N,E33K,L35M,Y36I,M39A,K40R,I42D,V43G | \n", "1,2,3,4,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,24,25,26,27,28,29,30,31,32,33,35,36,39,40,42,43 | \n", "37 | \n", "
| 7 | \n", "-111.605 | \n", "-241.044 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032833.pdb | \n", "TEVEEILKRAAKKPDHKFREIFRELIERNLANELAKQILKELG | \n", "S1T,H2E,I3V,F7L,E9R,L10A,Q11A,R12K,Q13K,N14P,A15D,S16H,N17K,L18F,F21I,V22F,E23R,A25L,W26I,R27E,G29N,E30L,M31A,S32N,E34L,L35A,Y36K,K37Q,K38I,M39L,K41E,I42L,V43G | \n", "1,2,3,7,9,10,11,12,13,14,15,16,17,18,21,22,23,25,26,27,29,30,31,32,34,35,36,37,38,39,41,42,43 | \n", "33 | \n", "
| 8 | \n", "-114.042 | \n", "-232.848 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032943.pdb | \n", "SPEEFEKLKEKAKRENNEEVLRKLEEAAKNASEEEIKELKRQI | \n", "H2P,I3E,E5F,I6E,F7K,K8L,E9K,L10E,Q11K,R12A,Q13K,N14R,A15E,S16N,L18E,R19E,E20V,F21L,V22R,E23K,E24L,A25E,W26E,R27A,R28A,G29K,E30N,M31A,L35E,Y36I,K38E,M39L,K41R,I42Q,V43I | \n", "2,3,5,6,7,8,9,10,11,12,13,14,15,16,18,19,20,21,22,23,24,25,26,27,28,29,30,31,35,36,38,39,41,42,43 | \n", "35 | \n", "
| 9 | \n", "-99.049 | \n", "-240.205 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032955.pdb | \n", "SEIEERLEKLARSETGTEEQMRQLAKKYEDPSAREFLKRYREK | \n", "H2E,I6R,F7L,K8E,E9K,Q11A,Q13S,N14E,A15T,S16G,N17T,L18E,R19E,E20Q,F21M,V22R,E23Q,E24L,W26K,R27K,R28Y,G29E,E30D,M31P,E33A,E34R,L35E,Y36F,K37L,M39R,K40Y,K41R,I42E,V43K | \n", "2,6,7,8,9,11,13,14,15,16,17,18,19,20,21,22,23,24,26,27,28,29,30,31,33,34,35,36,37,39,40,41,42,43 | \n", "34 | \n", "
| \n", " | identity_perc | \n", "positive_perc | \n", "
|---|---|---|
| 1 | \n", "0.666667 | \n", "0.888889 | \n", "
| 2 | \n", "0.000000 | \n", "0.000000 | \n", "
| 3 | \n", "0.222222 | \n", "0.444444 | \n", "
| 4 | \n", "0.666667 | \n", "0.777778 | \n", "
| 5 | \n", "0.555556 | \n", "0.777778 | \n", "
| 6 | \n", "0.111111 | \n", "0.333333 | \n", "
| 7 | \n", "0.111111 | \n", "0.111111 | \n", "
| 8 | \n", "0.333333 | \n", "0.555556 | \n", "
| 9 | \n", "0.000000 | \n", "0.555556 | \n", "
| 10 | \n", "0.222222 | \n", "0.333333 | \n", "
| 11 | \n", "0.000000 | \n", "0.222222 | \n", "
| 12 | \n", "0.111111 | \n", "0.777778 | \n", "
| 13 | \n", "0.000000 | \n", "0.555556 | \n", "
| 14 | \n", "0.111111 | \n", "0.444444 | \n", "
| 15 | \n", "0.000000 | \n", "0.111111 | \n", "
| 16 | \n", "0.111111 | \n", "0.333333 | \n", "
| 17 | \n", "0.111111 | \n", "0.444444 | \n", "
| 18 | \n", "0.222222 | \n", "0.222222 | \n", "
| 19 | \n", "0.222222 | \n", "0.333333 | \n", "
| 20 | \n", "0.222222 | \n", "0.666667 | \n", "
| 21 | \n", "0.000000 | \n", "0.000000 | \n", "
| 22 | \n", "0.000000 | \n", "0.333333 | \n", "
| 23 | \n", "0.222222 | \n", "0.888889 | \n", "
| 24 | \n", "0.222222 | \n", "0.444444 | \n", "
| 25 | \n", "0.333333 | \n", "0.333333 | \n", "
| 26 | \n", "0.000000 | \n", "0.000000 | \n", "
| 27 | \n", "0.222222 | \n", "0.666667 | \n", "
| 28 | \n", "0.111111 | \n", "0.111111 | \n", "
| 29 | \n", "0.222222 | \n", "0.222222 | \n", "
| 30 | \n", "0.000000 | \n", "0.222222 | \n", "
| 31 | \n", "0.000000 | \n", "0.111111 | \n", "
| 32 | \n", "0.333333 | \n", "0.666667 | \n", "
| 33 | \n", "0.444444 | \n", "0.555556 | \n", "
| 34 | \n", "0.333333 | \n", "0.444444 | \n", "
| 35 | \n", "0.000000 | \n", "0.444444 | \n", "
| 36 | \n", "0.000000 | \n", "0.111111 | \n", "
| 37 | \n", "0.333333 | \n", "0.888889 | \n", "
| 38 | \n", "0.333333 | \n", "0.555556 | \n", "
| 39 | \n", "0.111111 | \n", "0.555556 | \n", "
| 40 | \n", "0.333333 | \n", "0.666667 | \n", "
| 41 | \n", "0.222222 | \n", "1.000000 | \n", "
| 42 | \n", "0.111111 | \n", "0.444444 | \n", "
| 43 | \n", "0.000000 | \n", "0.333333 | \n", "
| \n", " | score | \n", "fa_atr | \n", "description | \n", "sequence_A | \n", "blosum62_A_raw | \n", "blosum62_A_identity | \n", "blosum62_A_positive | \n", "blosum62_A_negative | \n", "blosum62_A_ali | \n", "blosum62_A_per_res | \n", "blosum62_A_perc | \n", "
|---|---|---|---|---|---|---|---|---|---|---|---|
| 0 | \n", "-111.579 | \n", "-239.381 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032313.pdb | \n", "SVEEIVKKMIKKASGASREQIKKLAEKIPGVDERVIKMAERLI | \n", "19 | \n", "6 | \n", "22 | \n", "21 | \n", "S..E.+.K.+++.+.++..+..+.A.+...+.E.+.K..++++ | \n", "[4, -3, -3, 5, -3, 3, -3, 5, -2, 2, 1, 2, -1, 1, 0, 1, 1, -2, 0, 2, 0, -2, 1, -3, 4, -3, 2, -3, -2, -2, 1, 0, 5, 0, 1, -1, 5, -1, -1, 1, 2, 2, 3] | \n", "0.087156 | \n", "
| 1 | \n", "-107.145 | \n", "-245.738 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032428.pdb | \n", "SEEEKEFLKRVKDKDPELAKKMQKLLENGYASIEQLQKQLEKR | \n", "11 | \n", "8 | \n", "17 | \n", "26 | \n", "S..E+.F.+..+.....L.+.+++....G..S.E..+K..+.. | \n", "[4, 0, -3, 5, 1, -3, 6, -2, 1, -2, -2, 2, 0, 0, -2, -1, 0, 4, -1, 1, -3, 1, 2, 1, -1, -2, 0, 0, 6, -2, -1, 4, -3, 5, -2, -1, 1, 5, 0, -2, 1, -3, -3] | \n", "0.050459 | \n", "
| 2 | \n", "-116.810 | \n", "-243.867 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032600.pdb | \n", "SEIEELAKRLLKDSRGDLRKLLEELQRNNQPNYQYVEHLLRKY | \n", "48 | \n", "11 | \n", "23 | \n", "20 | \n", "S.IEE+.K.L.+.+..+LR+.+EE..R..+.+.+..+.+.+.. | \n", "[4, 0, 4, 5, 5, 2, -2, 5, 0, 4, -2, 2, 0, 1, -1, 0, 1, 4, 5, 1, 0, 1, 5, 5, -1, -2, 5, 0, 0, 2, -2, 1, -2, 2, -1, -1, 1, -1, 2, -2, 2, -3, -1] | \n", "0.220183 | \n", "
| 3 | \n", "-121.064 | \n", "-244.426 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032649.pdb | \n", "TPLDEEARRAFQRNSSTAQELLKQLERDSRADPRVIEELRRLK | \n", "28 | \n", "5 | \n", "23 | \n", "20 | \n", "+.++E..+...++N+S..+E.+++..R.......+.++++++. | \n", "[1, -2, 2, 2, 5, -3, -2, 2, 0, -1, -3, 1, 1, 6, 1, 4, 0, -1, 1, 5, 0, 1, 1, 2, -1, -3, 5, -2, 0, 0, -1, 0, -1, 0, 1, -1, 1, 1, 2, 2, 2, 2, -2] | \n", "0.128440 | \n", "
| 4 | \n", "-118.053 | \n", "-246.797 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032655.pdb | \n", "SEEVKKILKELLKDKDKQEALKKWAKKAGLTDEHVRRLMKKIM | \n", "11 | \n", "8 | \n", "17 | \n", "26 | \n", "S...+...+...++........+.A.+.G...E.+.+.MKKI+ | \n", "[4, 0, -3, -2, 1, -3, 0, -2, 1, -3, -2, -2, 1, 1, -1, 0, 0, -2, 0, -1, 0, -2, 1, -3, 4, -3, 2, -1, 6, -3, -1, 0, 5, 0, 1, -2, 2, -2, 5, 5, 5, 4, 1] | \n", "0.050459 | \n", "
| 5 | \n", "-104.212 | \n", "-233.769 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032822.pdb | \n", "DPKTEELIKQYQRKERSEEMMEELRKKANNRNKEMIKKARKDG | \n", "1 | \n", "6 | \n", "15 | \n", "28 | \n", "....E...+..++...+.....E...+....++E+.KK.+K.. | \n", "[0, -2, -3, -1, 5, -3, 0, -3, 1, -2, -1, 1, 1, 0, -1, -1, 1, -3, 0, -2, 0, -2, 5, -3, -1, -3, 2, -1, 0, 0, -1, 1, 1, 5, 2, -1, 5, 5, -1, 2, 5, -3, -3] | \n", "0.004587 | \n", "
| 6 | \n", "-111.605 | \n", "-241.044 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032833.pdb | \n", "TEVEEILKRAAKKPDHKFREIFRELIERNLANELAKQILKELG | \n", "35 | \n", "10 | \n", "19 | \n", "24 | \n", "+.+EEI.K...++.....RE...E...R...+E...+.+K++. | \n", "[1, 0, 3, 5, 5, 4, 0, 5, 0, -1, -1, 2, 1, -2, -2, -1, 0, 0, 5, 5, 0, -1, 0, 5, -1, -3, 0, 5, 0, -3, -1, 1, 5, -3, -1, -2, 1, -3, 2, 5, 1, 2, -3] | \n", "0.160550 | \n", "
| 7 | \n", "-114.042 | \n", "-232.848 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032943.pdb | \n", "SPEEFEKLKEKAKRENNEEVLRKLEEAAKNASEEEIKELKRQI | \n", "4 | \n", "8 | \n", "17 | \n", "26 | \n", "S..E....+.+.+..+N.....+........SEE..K++K+.+ | \n", "[4, -2, -3, 5, -3, -3, -3, -2, 1, -3, 1, -1, 1, 0, -1, 1, 6, -3, 0, -2, 0, -3, 1, -3, -1, -3, -1, -1, -2, 0, -1, 4, 5, 5, -3, -1, 5, 1, 2, 5, 2, -3, 3] | \n", "0.018349 | \n", "
| 8 | \n", "-99.049 | \n", "-240.205 | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032955.pdb | \n", "SEIEERLEKLARSETGTEEQMRQLAKKYEDPSAREFLKRYREK | \n", "19 | \n", "9 | \n", "17 | \n", "26 | \n", "S.IEE..++L.R.......+..+.A.+..+.S...+.K..+.. | \n", "[4, 0, 4, 5, 5, -3, 0, 1, 1, 4, -1, 5, 0, 0, 0, 0, 0, -3, 0, 2, 0, -3, 2, -3, 4, -3, 2, -2, -2, 2, -2, 4, -1, 0, -3, 3, -2, 5, -1, -2, 2, -3, -2] | \n", "0.087156 | \n", "
| \n", " | EHPC100_job_77_hhh_11.5.10.5.10_20201122032157.pdb | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032313.pdb | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032428.pdb | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032600.pdb | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032649.pdb | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032655.pdb | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032822.pdb | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032833.pdb | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032943.pdb | \n", "EHPC100_job_77_hhh_11.5.10.5.10_20201122032955.pdb | \n", "
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