sxsaxx commited on May 29

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+14.82
+14.2
+13.51
+13.21
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+13.62
+14.1
+15.14
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+15.82
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+20.4
+19.07
+17.9
+20.36
+18.27
+19.41
+19.48
+17.46
+17.0
+15.92
+17.16
+18.61
+19.64
+20.24
+21.37
+17.89
+18.44
+20.68
+20.33
+23.5
+26.82
+22.04
+19.83
+22.5
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+21.65
+22.52
+28.82
+31.43
+26.89
+32.57
+40.15
+42.41
+37.52

atlas_1000_analysis/1hbn_E/1hbn_E_Neq.tsv ADDED Viewed

	@@ -0,0 +1,443 @@

+seq	Neq_R1	Neq_R2	Neq_R3
+A	1.0	1.0	1.0
+K	1.0	1.0	1.0
+F	3.344	3.209	3.31
+E	2.025	1.979	2.01
+D	1.249	1.25	1.237
+K	1.001	1.002	1.001
+V	1.0	1.0	1.0
+D	1.0	1.0	1.0
+L	1.0	1.0	1.0
+Y	1.0	1.001	1.014
+D	1.0	1.001	1.013
+D	1.581	1.455	1.716
+R	1.02	1.019	1.009
+G	1.0	1.0	1.0
+N	1.0	1.003	1.0
+L	1.001	1.0	1.0
+V	1.0	1.0	1.0
+E	1.897	1.825	1.861
+E	1.977	1.993	1.973
+Q	1.0	1.0	1.0
+V	1.018	1.011	1.019
+P	1.0	1.0	1.0
+L	1.0	1.0	1.0
+E	1.0	1.0	1.0
+A	1.0	1.0	1.0
+L	2.503	2.477	2.691
+S	2.898	2.867	2.933
+P	1.0	1.0	1.0
+L	1.0	1.0	1.0
+R	2.762	2.734	2.778
+N	1.248	1.158	1.247
+P	1.567	1.635	1.426
+A	1.0	1.0	1.0
+I	1.0	1.0	1.0
+K	1.0	1.0	1.0
+S	1.0	1.0	1.0
+I	1.0	1.0	1.0
+V	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+G	1.0	1.0	1.0
+I	1.0	1.0	1.0
+K	1.0	1.0	1.0
+R	1.879	2.206	2.029
+T	1.0	1.0	1.0
+V	1.0	1.0	1.0
+A	1.0	1.0	1.0
+V	1.001	1.0	1.0
+N	1.0	1.0	1.0
+L	1.0	1.0	1.0
+E	1.0	1.0	1.0
+G	1.0	1.0	1.0
+I	1.0	1.0	1.0
+E	1.0	1.0	1.0
+N	1.0	1.0	1.0
+A	1.0	1.0	1.0
+L	1.0	1.0	1.0
+K	1.0	1.0	1.0
+T	1.0	1.0	1.0
+A	1.003	1.018	1.001
+K	2.169	1.59	2.126
+V	5.596	2.293	3.265
+G	6.372	1.16	3.566
+G	3.009	2.429	1.866
+P	2.068	1.093	3.157
+A	2.111	1.031	2.927
+C	1.598	1.042	2.78
+K	1.27	1.438	2.016
+I	1.037	1.416	1.021
+M	1.001	1.961	1.0
+G	1.295	2.205	1.489
+R	1.024	2.048	1.094
+E	1.025	2.865	1.108
+L	1.723	3.679	2.017
+D	1.341	2.395	1.474
+L	1.223	2.392	1.227
+D	1.027	1.077	1.033
+I	1.013	1.057	1.024
+V	1.007	1.033	1.014
+G	1.0	1.001	1.001
+N	1.0	1.0	1.0
+A	1.0	1.0	1.0
+E	1.0	1.001	1.002
+S	1.0	1.0	1.0
+I	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+K	1.0	1.0	1.0
+E	1.0	1.0	1.0
+M	1.0	1.0	1.0
+I	1.448	2.057	1.652
+Q	1.603	2.71	1.661
+V	1.322	1.206	1.521
+T	2.794	1.165	3.455
+E	1.914	1.237	2.496
+D	2.189	1.607	2.244
+D	3.504	2.368	2.955
+D	1.556	1.955	2.944
+T	1.903	1.73	1.36
+N	1.002	2.033	2.008
+V	1.005	1.188	1.002
+E	1.0	1.033	1.001
+L	1.001	1.0	1.0
+L	1.99	1.998	1.998
+G	1.055	1.049	1.054
+G	3.051	2.813	2.846
+G	3.515	3.643	3.527
+K	1.099	1.033	1.029
+R	1.066	1.058	1.063
+A	1.0	1.0	1.0
+L	1.0	1.0	1.0
+V	1.0	1.001	1.0
+Q	1.002	1.0	1.0
+V	1.0	1.002	1.0
+P	1.0	1.001	1.0
+S	1.006	1.001	1.0
+A	1.0	1.0	1.0
+R	1.002	1.127	1.002
+F	1.009	1.059	1.0
+D	1.077	1.115	1.029
+V	2.514	1.804	2.352
+A	2.406	2.093	2.161
+A	2.11	1.748	1.515
+E	1.846	1.744	1.86
+Y	1.563	1.154	1.21
+S	1.5	1.004	1.0
+A	1.0	1.0	1.0
+A	1.0	1.001	1.0
+P	1.0	1.0	1.0
+L	1.0	1.0	1.0
+V	1.0	1.0	1.0
+T	1.0	1.0	1.0
+A	1.0	1.0	1.0
+T	1.0	1.0	1.0
+A	1.0	1.0	1.0
+F	1.0	1.0	1.0
+V	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+A	1.0	1.0	1.0
+I	1.0	1.0	1.0
+I	1.0	1.0	1.0
+N	1.0	1.0	1.0
+E	1.0	1.0	1.0
+F	1.0	1.0	1.0
+D	1.0	1.0	1.0
+V	1.112	1.103	1.037
+S	1.342	1.315	1.128
+M	1.349	1.324	1.131
+Y	1.002	1.0	1.0
+D	1.165	1.086	1.048
+A	1.0	1.0	1.0
+N	1.0	1.0	1.0
+M	1.0	1.0	1.0
+V	1.0	1.0	1.0
+K	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+V	1.0	1.0	1.0
+L	1.764	1.575	1.594
+G	1.242	1.152	1.121
+R	1.595	1.572	1.482
+Y	3.036	3.508	3.427
+P	1.729	1.641	1.422
+Q	1.361	1.02	1.024
+S	2.688	2.336	2.105
+V	1.414	1.286	1.146
+E	3.17	2.283	3.037
+Y	2.741	2.453	2.437
+M	2.449	2.203	1.883
+G	2.077	1.941	1.975
+A	1.093	1.001	1.0
+N	1.218	1.223	1.189
+I	1.006	1.0	1.0
+A	1.011	1.017	1.006
+T	1.0	1.0	1.0
+M	1.0	1.0	1.0
+L	1.616	1.774	1.557
+D	1.0	1.0	1.0
+I	1.01	1.011	1.02
+P	1.03	1.039	1.047
+Q	1.028	1.033	1.043
+K	2.608	3.225	3.845
+L	3.471	4.03	2.064
+E	1.456	1.272	2.113
+G	3.103	2.008	1.79
+P	1.54	1.007	1.005
+G	1.804	1.301	1.802
+Y	1.476	1.001	1.004
+A	1.007	1.007	1.013
+L	1.004	1.0	1.0
+R	1.0	1.001	1.0
+N	1.695	1.644	1.8
+I	1.003	1.001	1.014
+M	1.0	1.0	1.0
+V	1.0	1.0	1.0
+N	1.0	1.0	1.0
+H	1.0	1.0	1.0
+V	1.0	1.0	1.0
+V	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+T	1.969	1.95	1.999
+L	1.034	1.103	1.049
+K	1.009	1.025	1.011
+N	1.013	1.023	1.022
+T	1.0	1.002	1.002
+L	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+L	1.0	1.0	1.0
+S	1.0	1.0	1.0
+T	1.0	1.0	1.0
+I	1.0	1.0	1.0
+L	1.0	1.0	1.0
+E	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+T	1.0	1.0	1.0
+A	1.0	1.0	1.0
+M	1.0	1.0	1.0
+F	1.0	1.0	1.0
+E	1.0	1.0	1.0
+M	1.0	1.0	1.0
+G	1.881	1.99	1.777
+D	1.999	1.919	1.614
+A	1.035	1.024	1.014
+V	2.569	2.727	2.453
+G	1.02	1.011	1.009
+A	1.343	1.357	1.347
+F	1.799	1.828	1.848
+E	1.0	1.0	1.0
+R	1.0	1.0	1.0
+M	1.0	1.0	1.0
+H	1.0	1.0	1.0
+L	1.0	1.0	1.0
+L	1.0	1.0	1.0
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+L	1.0	1.0	1.0
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+Q	1.0	1.0	1.0
+G	1.0	1.0	1.0
+M	1.0	1.0	1.0
+N	1.63	1.79	1.728
+A	1.332	1.16	1.121
+D	1.543	1.173	1.156
+N	1.003	1.004	1.002
+L	1.04	1.017	1.019
+V	1.4	1.132	1.135
+F	1.0	1.0	1.0
+D	1.0	1.0	1.0
+L	1.002	1.0	1.0
+V	1.001	1.0	1.0
+K	1.001	1.0	1.0
+A	1.406	1.109	1.006
+N	1.439	1.984	1.846
+G	1.413	1.361	1.195
+K	1.512	1.111	1.015
+E	1.644	3.55	3.442
+G	1.444	1.027	1.013
+T	1.446	1.001	1.005
+V	1.021	1.0	1.0
+G	1.003	1.0	1.0
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+V	1.0	1.0	1.0
+I	1.0	1.0	1.0
+A	1.0	1.0	1.0
+D	1.0	1.0	1.0
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+L	1.0	1.0	1.0
+E	1.0	1.0	1.0
+D	1.0	1.0	1.0
+G	1.998	2.0	1.997
+V	1.062	1.062	1.058
+I	1.06	1.073	1.091
+K	1.0	1.0	1.0
+V	1.011	1.008	1.007
+E	1.018	1.015	1.002
+K	1.718	1.841	2.809
+E	1.165	1.279	2.178
+L	1.024	1.081	1.676
+T	1.003	1.004	1.047
+D	1.005	1.012	1.012
+Y	1.0	1.0	1.136
+K	1.04	1.03	1.633
+V	1.002	1.019	1.036
+Y	1.0	1.0	1.559
+G	1.0	1.0	1.0
+T	1.001	1.001	1.001
+D	1.005	1.004	1.002
+D	1.893	1.879	1.887
+L	1.607	1.569	1.555
+A	1.0	1.001	1.0
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+W	1.0	1.0	1.0
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+A	1.0	1.0	1.0
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+L	1.0	1.0	1.0
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+A	1.0	1.0	1.0
+T	1.0	1.0	1.0
+M	1.0	1.0	1.0
+V	1.0	1.0	1.0
+N	1.0	1.004	1.006
+Q	1.0	1.0	1.001
+G	1.002	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+R	1.0	1.0	1.0
+A	1.033	1.005	1.001
+A	4.079	2.267	1.001
+Q	2.033	1.827	1.0
+G	3.762	2.125	1.0
+V	1.868	1.769	1.001
+S	1.033	1.019	1.001
+S	1.0	1.0	1.0
+T	1.0	1.0	1.0
+L	1.0	1.0	1.0
+L	1.0	1.0	1.0
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+D	1.0	1.0	1.0
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+I	1.0	1.0	1.0
+E	1.0	1.0	1.0
+F	1.004	1.024	1.0
+E	1.0	1.0	1.0
+T	1.001	1.0	1.0
+G	1.0	1.0	1.0
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+P	1.024	1.048	1.019
+S	1.0	1.0	1.0
+V	1.071	1.046	1.067
+D	1.723	1.877	1.852
+F	2.407	2.339	2.353
+G	2.366	2.318	2.388
+K	1.605	1.753	1.714
+V	1.002	1.0	1.0
+E	1.0	1.0	1.0
+G	1.0	1.0	1.0
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+A	1.0	1.0	1.0
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+G	1.0	1.0	1.0
+F	1.0	1.0	1.0
+S	1.0	1.0	1.0
+F	1.0	1.0	1.0
+F	1.004	1.0	1.002
+S	1.527	1.099	2.123
+H	3.149	2.333	4.125
+S	2.754	2.367	3.661
+I	2.004	1.592	2.605
+Y	3.597	2.725	3.364
+G	3.95	2.429	5.632
+G	6.422	8.082	7.447
+G	3.695	3.424	4.956
+G	2.249	1.98	2.041
+P	1.848	1.454	1.39
+G	1.016	1.0	1.023
+I	1.528	2.557	2.552
+F	1.003	1.042	1.046
+N	1.08	1.275	1.553
+G	1.119	1.002	1.001
+N	2.113	1.98	1.817
+H	1.354	1.451	1.239
+I	1.135	1.066	1.218
+V	1.0	1.0	1.0
+T	1.009	1.0	1.0
+R	1.006	1.001	1.196
+H	1.062	1.037	1.337
+S	1.026	1.004	1.139
+K	1.789	1.81	1.754
+G	2.961	3.295	2.233
+F	1.763	1.869	2.037
+A	1.0	1.0	1.001
+I	1.0	1.0	1.0
+P	1.0	1.0	1.0
+C	1.0	1.0	1.0
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+A	1.0	1.0	1.0
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+M	1.0	1.0	1.0
+A	1.0	1.0	1.0
+L	1.502	1.632	2.167
+D	1.206	1.264	2.661
+A	1.809	1.887	2.986
+G	1.439	1.356	3.132
+T	1.172	1.181	2.266
+Q	2.032	2.006	2.735
+M	1.575	1.156	1.753
+F	3.234	2.682	3.357
+S	1.539	1.184	1.781
+P	1.003	1.0	1.008
+E	1.001	1.0	1.008
+A	1.08	1.102	1.11
+T	1.332	1.514	1.32
+S	1.0	1.002	1.002
+G	1.02	1.032	1.006
+L	1.344	1.28	1.074
+I	1.001	1.004	1.0
+K	1.0	1.0	1.0
+E	1.0	1.0	1.0
+V	1.0	1.0	1.0
+F	1.0	1.0	1.0
+S	1.0	1.0	1.0
+Q	1.912	1.872	2.036
+V	1.664	1.429	1.747
+D	1.336	1.682	1.337
+E	1.0	1.0	1.0
+F	1.001	1.0	1.0
+R	1.132	1.157	1.399
+E	1.0	1.0	1.002
+P	1.009	1.018	1.058
+L	1.146	1.117	1.06
+K	1.0	1.0	1.0
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+V	1.0	1.0	1.0
+V	1.0	1.0	1.0
+E	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+E	1.001	1.0	1.0
+I	1.0	1.0	1.0
+K	1.0	1.0	1.0
+N	1.004	1.022	1.005
+E	1.0	1.0	1.0
+I	1.0	1.0	1.0

atlas_1000_analysis/1hbn_E/1hbn_E_RMSD.tsv ADDED Viewed

	@@ -0,0 +1,1002 @@

+time	RMSD_R1	RMSD_R2	RMSD_R3
+0.0	0.0	0.0	0.0
+0.1	1.21	1.24	1.09
+0.2	1.53	1.49	1.45
+0.3	1.27	1.5	1.32
+0.4	1.43	1.59	1.27
+0.5	1.76	1.52	1.34
+0.6	1.97	1.33	1.39
+0.7	1.75	1.56	1.08
+0.8	1.76	1.43	1.33
+0.9	1.52	1.34	1.17
+1.0	1.33	1.57	1.07
+1.1	1.33	1.53	1.69
+1.2	1.8	1.72	1.32
+1.3	1.5	1.56	1.38
+1.4	1.44	1.58	1.46
+1.5	1.35	1.61	1.43
+1.6	1.49	1.5	1.4
+1.7	1.65	1.71	1.53
+1.8	1.43	1.76	1.45
+1.9	1.43	1.56	1.6
+2.0	1.31	1.57	1.44
+2.1	1.67	1.49	1.25
+2.2	1.44	1.71	1.17
+2.3	1.31	1.7	1.55
+2.4	1.74	1.54	1.21
+2.5	1.43	1.44	1.16
+2.6	1.53	1.47	1.44
+2.7	1.33	1.65	1.47
+2.8	1.39	1.91	1.52
+2.9	1.45	1.87	1.5
+3.0	1.49	1.84	1.69
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+93.9	2.31	1.47	1.86
+94.0	2.04	1.5	1.95
+94.1	2.43	1.55	2.02
+94.2	2.24	1.33	1.91
+94.3	1.92	1.39	1.86
+94.4	2.02	1.47	1.89
+94.5	1.89	1.48	1.99
+94.6	2.15	1.45	1.57
+94.7	2.24	1.65	2.06
+94.8	2.2	1.44	1.57
+94.9	2.24	1.37	1.73
+95.0	2.32	1.36	1.88
+95.1	2.43	1.43	1.75
+95.2	2.32	1.53	1.74
+95.3	2.24	1.64	1.82
+95.4	2.39	1.49	1.69
+95.5	2.57	1.54	1.78
+95.6	2.27	1.56	1.63
+95.7	2.17	1.46	1.74
+95.8	2.61	1.42	1.63
+95.9	2.35	1.55	1.51
+96.0	2.34	1.44	1.59
+96.1	2.07	1.43	1.77
+96.2	2.23	1.59	1.63
+96.3	2.21	1.54	1.84
+96.4	2.14	1.47	1.7
+96.5	2.29	1.4	1.72
+96.6	2.11	1.65	1.79
+96.7	2.11	1.47	1.79
+96.8	2.39	1.49	1.91
+96.9	2.56	1.48	1.86
+97.0	2.12	1.57	1.89
+97.1	2.26	1.72	1.76
+97.2	2.24	1.62	1.95
+97.3	2.2	1.66	1.85
+97.4	2.08	1.69	1.83
+97.5	2.59	1.61	1.99
+97.6	2.21	1.75	2.02
+97.7	2.12	1.66	1.74
+97.8	2.37	1.63	1.84
+97.9	2.41	1.39	1.55
+98.0	2.4	1.65	1.73
+98.1	2.32	1.55	1.75
+98.2	2.38	1.65	2.16
+98.3	2.33	1.6	1.81
+98.4	2.42	1.69	1.77
+98.5	2.37	1.61	1.91
+98.6	2.4	1.62	1.8
+98.7	2.32	1.54	1.98
+98.8	2.39	1.77	1.67
+98.9	2.46	1.66	1.75
+99.0	2.57	1.56	1.63
+99.1	2.44	1.52	1.63
+99.2	2.17	1.65	1.66
+99.3	2.45	1.61	1.91
+99.4	2.06	1.58	1.89
+99.5	1.99	1.45	1.69
+99.6	1.99	1.62	1.77
+99.7	2.33	1.41	1.84
+99.8	2.09	1.69	1.81
+99.9	2.08	1.54	1.88
+100.0	2.02	1.35	1.81

atlas_1000_analysis/1hbn_E/1hbn_E_RMSF.tsv ADDED Viewed

	@@ -0,0 +1,443 @@

+seq	RMSF_R1	RMSF_R2	RMSF_R3
+A	1.05	1.08	1.04
+K	0.84	0.86	0.8
+F	0.75	0.73	0.7
+E	0.82	0.8	0.8
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+Y	0.65	0.6	0.66
+D	0.97	0.8	0.94
+D	1.32	1.02	1.19
+R	1.2	1.08	1.08
+G	0.97	0.98	0.91
+N	0.84	0.88	0.84
+L	0.73	0.73	0.75
+V	0.76	0.71	0.77
+E	0.75	0.68	0.75
+E	0.74	0.69	0.75
+Q	0.72	0.69	0.73
+V	0.64	0.61	0.63
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+L	0.54	0.5	0.52
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+P	0.65	0.64	0.67
+L	0.82	0.78	0.86
+R	0.75	0.69	0.73
+N	0.6	0.57	0.56
+P	0.68	0.66	0.61
+A	0.6	0.58	0.55
+I	0.51	0.52	0.51
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+S	0.59	0.63	0.56
+I	0.54	0.58	0.53
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+G	0.53	0.59	0.55
+I	0.54	0.6	0.57
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+L	0.82	0.82	0.84
+K	0.94	0.94	1.02
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+A	1.1	1.13	1.19
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+G	2.97	1.51	2.67
+P	2.78	1.64	3.06
+A	2.83	1.97	2.65
+C	1.72	1.81	1.92
+K	1.5	2.35	1.43
+I	1.59	2.18	1.5
+M	1.78	2.48	1.71
+G	1.82	2.4	1.82
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+L	0.99	0.95	0.9
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+A	0.7	0.69	0.75
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+A	0.69	0.72	0.74
+A	0.8	0.87	0.9
+A	0.78	0.84	0.85
+A	0.7	0.75	0.74
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+E	0.92	1.09	1.0
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+I	0.86	0.98	0.96
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+E	1.88	2.19	3.13
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+D	1.3	2.11	1.94
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+A	2.42	1.38	1.74
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+R	1.74	1.28	1.25
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+I	0.86	0.72	0.84
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+Q	0.97	0.86	1.11
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+L	1.0	0.78	0.85
+E	1.63	1.22	1.48
+G	1.57	1.23	1.49
+P	1.49	1.09	1.29
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+A	0.66	0.62	0.62
+A	0.6	0.56	0.58
+A	0.72	0.7	0.73
+E	0.83	0.8	0.83
+I	0.81	0.76	0.79
+K	0.84	0.79	0.83
+N	1.0	0.94	0.97
+E	1.01	0.99	0.99
+I	0.95	1.07	0.91

atlas_1000_analysis/1hbn_E/1hbn_E_contacts.tsv ADDED Viewed

	@@ -0,0 +1,443 @@

+seq	nb_chain	nb_ligand	nb_ion	nb_nucleotide	name_chain	name_ligand	name_ion	name_nucleotide
+A	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+D	1	0	0	0	F:ALA,65	-	-	-
+R	1	0	0	0	F:ALA,65	-	-	-
+G	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	1	0	0	-	E:GOL,1444	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	1	0	0	-	E:GOL,1444	-	-
+P	1	0	0	0	B:VAL,123	-	-	-
+L	3	1	0	0	B:VAL,95;B:ALA,119;B:VAL,123	E:GOL,1444	-	-
+R	0	1	0	0	-	E:GOL,1444	-	-
+N	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+I	1	0	0	0	B:VAL,123	-	-	-
+K	2	0	0	0	B:ASP,122;B:VAL,123	-	-	-
+S	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+V	1	0	0	0	B:VAL,123	-	-	-
+Q	1	0	0	0	B:ASP,122	-	-	-
+G	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+V	2	0	0	0	A:LEU,470;A:PHE,505	-	-	-
+G	2	0	0	0	A:LEU,470;A:PHE,505	-	-	-
+G	0	0	0	0	-	-	-	-
+P	2	0	0	0	A:ILE,261;A:ASN,506	-	-	-
+A	4	0	0	0	A:ILE,261;A:ASN,506;A:PRO,507;A:LEU,508	-	-	-
+C	3	0	0	0	A:PHE,505;A:ASN,506;A:PRO,507	-	-	-
+K	4	0	0	0	A:PHE,503;A:VAL,504;A:PHE,505;A:PRO,507	-	-	-
+I	5	0	0	0	A:GLU,469;A:HIS,496;A:PHE,503;A:VAL,504;A:PHE,505	-	-	-
+M	4	0	0	0	A:HIS,496;A:ARG,499;A:ASP,501;A:PHE,503	-	-	-
+G	4	0	0	0	A:GLY,418;A:HIS,496;A:ARG,499;A:ASP,501	-	-	-
+R	1	0	0	0	A:ASN,419	-	-	-
+E	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+G	0	0	1	0	-	-	E:MG,1449	-
+N	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	1	0	0	0	B:LYS,3	-	-	-
+M	3	0	0	0	B:LYS,3;B:VAL,230;B:GLY,231	-	-	-
+I	1	0	0	0	B:VAL,230	-	-	-
+Q	1	0	0	0	B:LYS,3	-	-	-
+V	2	1	0	0	B:LYS,3;B:LEU,30	B:GOL,1444	-	-
+T	1	1	0	0	B:ARG,31	B:GOL,1444	-	-
+E	0	0	0	0	-	-	-	-
+D	0	0	1	0	-	-	E:MG,1450	-
+D	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+A	1	0	0	0	B:LEU,30	-	-	-
+R	1	0	0	0	B:LEU,30	-	-	-
+F	0	0	0	0	-	-	-	-
+D	2	0	0	0	B:LYS,36;B:GLN,40	-	-	-
+V	5	0	0	0	B:PRO,29;B:LYS,36;B:VAL,39;B:GLN,40;B:THR,221	-	-	-
+A	5	0	0	0	B:VAL,39;B:LYS,43;B:LEU,192;B:THR,221;B:GLU,225	-	-	-
+A	8	0	0	0	B:VAL,39;B:LYS,43;B:GLU,126;B:TYR,127;B:LEU,179;B:ALA,191;B:LEU,192;B:GLU,225	-	-	-
+E	5	0	0	0	B:LYS,43;B:ALA,125;B:GLU,126;B:TYR,127;B:GLU,225	-	-	-
+Y	2	0	0	0	B:ALA,125;B:GLU,225	-	-	-
+S	3	0	0	0	B:PRO,188;B:GLY,189;B:GLU,225	-	-	-
+A	3	0	0	0	B:PHE,224;B:GLU,225;B:MET,226	-	-	-
+A	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+L	3	0	0	0	B:GLU,225;B:MET,226;B:GLY,227	-	-	-
+V	4	0	0	0	B:PHE,224;B:MET,226;B:GLY,227;B:VAL,230	-	-	-
+T	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+T	3	0	0	0	A:ILE,460;B:GLY,227;B:VAL,230	-	-	-
+A	1	0	0	0	B:VAL,230	-	-	-
+F	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+Q	1	0	0	0	A:ILE,460	-	-	-
+A	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+D	0	0	1	0	-	-	E:MG,1447	-
+V	0	0	1	0	-	-	E:MG,1447	-
+S	1	0	1	0	C:PHE,246	-	E:MG,1447	-
+M	2	0	0	0	A:PHE,458;C:PHE,246	-	-	-
+Y	4	0	0	0	A:ASN,365;A:GLN,421;A:THR,422;A:PHE,458	-	-	-
+D	0	0	0	0	-	-	-	-
+A	3	0	0	0	A:PHE,458;A:ILE,460;C:PHE,246	-	-	-
+N	6	0	0	0	A:PHE,458;A:SER,459;A:ILE,460;A:GLY,465;A:LEU,466;A:PRO,467	-	-	-
+M	1	0	0	0	A:PRO,467	-	-	-
+V	0	0	0	0	-	-	-	-
+K	2	0	0	0	A:ILE,460;A:GLY,465	-	-	-
+A	4	0	0	0	A:GLY,465;A:LEU,466;A:PRO,467;A:LEU,470	-	-	-
+A	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+G	2	0	0	0	A:LEU,466;A:LEU,470	-	-	-
+R	2	0	0	0	A:LEU,466;A:LEU,470	-	-	-
+Y	2	0	0	0	A:GLY,462;A:LEU,466	-	-	-
+P	6	0	0	0	A:GLY,462;A:ASP,463;A:LEU,466;A:ASN,474;A:TYR,475;A:PRO,476	-	-	-
+Q	7	0	0	0	A:LEU,466;A:LEU,470;A:ARG,471;A:GLY,472;A:ASN,474;A:TYR,475;A:PRO,476	-	-	-
+S	3	0	0	0	A:THR,265;A:TYR,266;A:ASN,474	-	-	-
+V	2	0	0	0	A:TYR,266;A:ASN,474	-	-	-
+E	1	0	0	0	A:TYR,266	-	-	-
+Y	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+I	1	0	0	0	B:PRO,188	-	-	-
+P	2	0	0	0	B:PRO,182;B:LEU,185	-	-	-
+Q	4	0	0	0	B:PRO,182;B:GLN,183;B:LEU,185;D:VAL,269	-	-	-
+K	2	0	0	0	A:TYR,266;D:VAL,269	-	-	-
+L	1	0	0	0	B:GLN,183	-	-	-
+E	3	0	0	0	B:GLN,183;D:PRO,268;D:AGM,271	-	-	-
+G	3	0	0	0	B:TYR,164;B:VAL,168;B:GLN,183	-	-	-
+P	8	0	0	0	B:GLU,126;B:SER,128;B:LEU,132;B:TYR,164;B:TYR,170;B:ILE,181;B:PRO,182;B:GLN,183	-	-	-
+G	3	0	0	0	B:GLU,126;B:SER,128;B:LEU,132	-	-	-
+Y	1	0	0	0	B:GLU,126	-	-	-
+A	2	0	0	0	B:ALA,125;B:GLU,126	-	-	-
+L	1	0	0	0	B:ALA,125	-	-	-
+R	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+L	1	0	0	0	F:PRO,62	-	-	-
+K	2	0	0	0	F:PRO,62;F:ARG,67	-	-	-
+N	4	0	0	0	F:PRO,62;F:GLU,63;F:ASP,64;F:ARG,67	-	-	-
+T	3	0	0	0	F:ASP,64;F:ILE,66;F:ARG,67	-	-	-
+L	2	0	0	0	F:ASP,64;F:ILE,66	-	-	-
+Q	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+T	1	0	0	0	B:VAL,123	-	-	-
+A	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+F	1	0	0	0	B:ARG,120	-	-	-
+E	3	0	0	0	B:ALA,124;B:ALA,129;B:VAL,133	-	-	-
+M	2	0	0	0	B:ALA,129;B:LEU,132	-	-	-
+G	3	0	0	0	B:LEU,132;B:VAL,133;B:THR,136	-	-	-
+D	1	0	0	0	D:ARG,461	-	-	-
+A	1	0	0	0	D:ARG,461	-	-	-
+V	4	0	0	0	B:MET,92;B:ARG,120;B:THR,136;B:GLN,140	-	-	-
+G	2	0	0	0	B:MET,92;B:GLN,140	-	-	-
+A	1	0	0	0	B:GLN,140	-	-	-
+F	2	0	0	0	D:ARG,461;F:LEU,248	-	-	-
+E	0	0	0	0	-	-	-	-
+R	0	0	1	0	-	-	E:CL,1445	-
+M	1	0	1	0	F:LEU,248	-	E:CL,1445	-
+H	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+F	2	0	0	0	F:ILE,66;F:MET,69	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+V	2	0	0	0	F:MET,69;F:VAL,70	-	-	-
+K	1	0	0	0	F:MET,69	-	-	-
+A	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+G	4	0	0	0	F:MET,69;F:VAL,70;F:GLU,71;F:ARG,110	-	-	-
+K	4	0	0	0	F:MET,69;F:VAL,70;F:GLU,71;F:ARG,110	-	-	-
+E	1	0	0	0	F:ARG,110	-	-	-
+G	1	0	0	0	F:ARG,110	-	-	-
+T	4	0	0	0	F:LEU,106;F:CYS,107;F:TYR,109;F:ARG,110	-	-	-
+V	2	0	0	0	F:LEU,106;F:CYS,107	-	-	-
+G	2	0	0	0	F:LEU,106;F:CYS,107	-	-	-
+S	0	0	1	0	-	-	E:MG,1446	-
+V	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+A	1	0	1	0	F:ALA,2	-	E:MG,1446	-
+D	0	0	1	0	-	-	E:MG,1446	-
+L	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+L	1	0	0	0	F:GLU,229	-	-	-
+T	2	0	0	0	F:THR,8;F:GLU,229	-	-	-
+D	0	0	0	0	-	-	-	-
+Y	1	0	0	0	F:GLN,3	-	-	-
+K	1	0	0	0	F:GLN,3	-	-	-
+V	3	0	0	0	F:GLN,3;F:ILE,233;F:ARG,236	-	-	-
+Y	1	0	0	0	F:ARG,236	-	-	-
+G	1	0	0	0	F:ARG,236	-	-	-
+T	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	1	0	0	0	F:LEU,248	-	-	-
+A	1	0	1	0	F:LEU,248	-	E:CL,1445	-
+M	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+M	2	0	0	0	F:ILE,66;F:VAL,70	-	-	-
+V	2	0	0	0	F:VAL,70;F:ARG,110	-	-	-
+N	2	0	0	0	F:ARG,110;F:GLY,111	-	-	-
+Q	1	0	0	0	F:GLY,111	-	-	-
+G	2	0	0	0	F:ILE,66;F:VAL,70	-	-	-
+A	6	0	0	0	F:VAL,70;F:GLU,71;F:PRO,72;F:ILE,73;F:ARG,110;F:GLY,111	-	-	-
+A	6	0	0	0	F:PRO,72;F:ILE,73;F:ALA,76;F:GLY,111;F:THR,125;F:ARG,126	-	-	-
+R	2	0	0	0	F:ALA,76;F:ARG,126	-	-	-
+A	2	0	0	0	F:VAL,82;F:ARG,126	-	-	-
+A	0	0	0	0	-	-	-	-
+Q	3	0	0	0	A:ARG,119;A:ALA,246;F:ASP,113	-	-	-
+G	2	0	0	0	F:ALA,112;F:ASP,113	-	-	-
+V	0	0	0	0	-	-	-	-
+S	1	0	0	0	F:ASP,113	-	-	-
+S	4	0	0	0	F:LEU,106;F:ALA,112;F:ASP,113;F:ALA,114	-	-	-
+T	1	0	0	0	F:LEU,106	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+Y	1	0	0	0	F:LEU,106	-	-	-
+Y	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+D	2	0	0	0	D:LYS,435;F:ARG,103	-	-	-
+L	2	0	0	0	F:TYR,4;F:ARG,103	-	-	-
+I	0	0	0	0	-	-	-	-
+E	1	0	0	0	F:ILE,237	-	-	-
+F	4	0	0	0	F:TYR,4;F:TYR,5;F:PRO,6;F:ILE,233	-	-	-
+E	2	0	0	0	F:GLN,3;F:TYR,4	-	-	-
+T	1	0	0	0	F:GLN,3	-	-	-
+G	3	0	0	0	F:ILE,233;F:ARG,236;F:ILE,237	-	-	-
+L	3	0	0	0	F:ARG,236;F:ILE,237;F:LEU,240	-	-	-
+P	3	0	0	0	F:ILE,237;F:LEU,240;F:ARG,241	-	-	-
+S	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+F	2	0	0	0	D:SER,455;F:ARG,241	-	-	-
+G	4	0	0	0	D:GLN,451;D:SMC,452;D:SER,455;F:ARG,241	-	-	-
+K	3	0	0	0	D:GLN,451;D:SMC,452;D:SER,455	-	-	-
+V	0	0	0	0	-	-	-	-
+E	1	0	0	0	D:GLN,451	-	-	-
+G	4	0	0	0	D:ASP,447;D:LEU,448;D:GLN,451;D:SMC,452	-	-	-
+T	2	0	0	0	D:LEU,448;D:SMC,452	-	-	-
+A	0	0	0	0	-	-	-	-
+V	4	0	0	0	D:TYR,444;D:GL3,445;D:ASP,447;D:LEU,448	-	-	-
+G	5	0	0	0	D:TYR,444;D:GL3,445;D:LEU,448;D:MET,480;D:ASN,481	-	-	-
+F	0	0	0	0	-	-	-	-
+S	1	0	0	0	D:TYR,444	-	-	-
+F	2	1	0	0	D:TYR,444;D:GL3,445	D:COM,1552	-	-
+F	0	0	0	0	-	-	-	-
+S	2	0	0	0	A:ALA,246;A:GLY,249	-	-	-
+H	7	0	0	0	A:GLY,244;A:GLU,245;A:ALA,246;A:THR,248;A:GLY,249;D:TYR,444;F:GLU,124	-	-	-
+S	4	2	0	0	A:GLY,244;A:GLU,245;A:THR,248;A:GLY,249	D:F43,1550;D:COM,1552	-	-
+I	5	1	0	0	A:ALA,228;A:MET,229;A:GLY,232;A:THR,248;A:ALA,252	D:F43,1550	-	-
+Y	4	2	0	0	A:MET,229;A:ALA,252;A:LYS,256;D:SER,325	D:F43,1550;D:TP7,1551	-	-
+G	3	1	0	0	A:MET,229;A:ALA,252;A:LYS,256	D:TP7,1551	-	-
+G	3	1	0	0	A:GLY,249;A:ALA,252;A:TYR,253	D:TP7,1551	-	-
+G	4	0	0	0	A:GLY,249;A:ASP,250;A:ALA,252;A:TYR,253	-	-	-
+G	2	0	0	0	A:ARG,119;A:ASP,250	-	-	-
+P	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+I	1	0	0	0	A:TYR,253	-	-	-
+F	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+H	1	0	0	0	D:ARG,270	-	-	-
+I	3	0	0	0	D:ARG,270;D:AGM,271;D:MET,480	-	-	-
+V	2	1	0	0	D:LEU,448;D:MET,480	D:TP7,1551	-	-
+T	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+H	2	0	0	0	D:SMC,452;D:ASN,477	-	-	-
+S	0	0	0	0	-	-	-	-
+K	2	0	0	0	D:ARG,461;D:GLU,464	-	-	-
+G	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+A	1	0	0	0	F:ARG,67	-	-	-
+L	2	0	0	0	F:ASP,64;F:ARG,67	-	-	-
+D	1	0	0	0	F:ARG,67	-	-	-
+A	5	0	0	0	F:HIS,53;F:LEU,56;F:MET,59;F:ARG,67;F:ARG,126	-	-	-
+G	2	0	0	0	F:VAL,52;F:HIS,53	-	-	-
+T	4	0	0	0	A:ARG,119;F:VAL,52;F:HIS,53;F:ARG,126	-	-	-
+Q	2	0	0	0	A:ARG,119;A:ASP,250	-	-	-
+M	3	0	0	0	A:VAL,115;A:ARG,119;A:ASP,250	-	-	-
+F	1	0	0	0	A:ASP,250	-	-	-
+S	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-

atlas_1000_analysis/1hbn_E/1hbn_E_corresp.tsv ADDED Viewed

	@@ -0,0 +1,443 @@

+UnP_seq	PDB_seq	PDB_num	CIF_num	UnP_num	gap	hetatm	corrected	no_fullbb	no_ca
+A	A	2	1	1	0	0	0	0	0
+K	K	3	2	2	0	0	0	0	0
+F	F	4	3	3	0	0	0	0	0
+E	E	5	4	4	0	0	0	0	0
+D	D	6	5	5	0	0	0	0	0
+K	K	7	6	6	0	0	0	0	0
+V	V	8	7	7	0	0	0	0	0
+D	D	9	8	8	0	0	0	0	0
+L	L	10	9	9	0	0	0	0	0
+Y	Y	11	10	10	0	0	0	0	0
+D	D	12	11	11	0	0	0	0	0
+D	D	13	12	12	0	0	0	0	0
+R	R	14	13	13	0	0	0	0	0
+G	G	15	14	14	0	0	0	0	0
+N	N	16	15	15	0	0	0	0	0
+L	L	17	16	16	0	0	0	0	0
+V	V	18	17	17	0	0	0	0	0
+E	E	19	18	18	0	0	0	0	0
+E	E	20	19	19	0	0	0	0	0
+Q	Q	21	20	20	0	0	0	0	0
+V	V	22	21	21	0	0	0	0	0
+P	P	23	22	22	0	0	0	0	0
+L	L	24	23	23	0	0	0	0	0
+E	E	25	24	24	0	0	0	0	0
+A	A	26	25	25	0	0	0	0	0
+L	L	27	26	26	0	0	0	0	0
+S	S	28	27	27	0	0	0	0	0
+P	P	29	28	28	0	0	0	0	0
+L	L	30	29	29	0	0	0	0	0
+R	R	31	30	30	0	0	0	0	0
+N	N	32	31	31	0	0	0	0	0
+P	P	33	32	32	0	0	0	0	0
+A	A	34	33	33	0	0	0	0	0
+I	I	35	34	34	0	0	0	0	0
+K	K	36	35	35	0	0	0	0	0
+S	S	37	36	36	0	0	0	0	0
+I	I	38	37	37	0	0	0	0	0
+V	V	39	38	38	0	0	0	0	0
+Q	Q	40	39	39	0	0	0	0	0
+G	G	41	40	40	0	0	0	0	0
+I	I	42	41	41	0	0	0	0	0
+K	K	43	42	42	0	0	0	0	0
+R	R	44	43	43	0	0	0	0	0
+T	T	45	44	44	0	0	0	0	0
+V	V	46	45	45	0	0	0	0	0
+A	A	47	46	46	0	0	0	0	0
+V	V	48	47	47	0	0	0	0	0
+N	N	49	48	48	0	0	0	0	0
+L	L	50	49	49	0	0	0	0	0
+E	E	51	50	50	0	0	0	0	0
+G	G	52	51	51	0	0	0	0	0
+I	I	53	52	52	0	0	0	0	0
+E	E	54	53	53	0	0	0	0	0
+N	N	55	54	54	0	0	0	0	0
+A	A	56	55	55	0	0	0	0	0
+L	L	57	56	56	0	0	0	0	0
+K	K	58	57	57	0	0	0	0	0
+T	T	59	58	58	0	0	0	0	0
+A	A	60	59	59	0	0	0	0	0
+K	K	61	60	60	0	0	0	0	0
+V	V	62	61	61	0	0	0	0	0
+G	G	63	62	62	0	0	0	0	0
+G	G	64	63	63	0	0	0	0	0
+P	P	65	64	64	0	0	0	0	0
+A	A	66	65	65	0	0	0	0	0
+C	C	67	66	66	0	0	0	0	0
+K	K	68	67	67	0	0	0	0	0
+I	I	69	68	68	0	0	0	0	0
+M	M	70	69	69	0	0	0	0	0
+G	G	71	70	70	0	0	0	0	0
+R	R	72	71	71	0	0	0	0	0
+E	E	73	72	72	0	0	0	0	0
+L	L	74	73	73	0	0	0	0	0
+D	D	75	74	74	0	0	0	0	0
+L	L	76	75	75	0	0	0	0	0
+D	D	77	76	76	0	0	0	0	0
+I	I	78	77	77	0	0	0	0	0
+V	V	79	78	78	0	0	0	0	0
+G	G	80	79	79	0	0	0	0	0
+N	N	81	80	80	0	0	0	0	0
+A	A	82	81	81	0	0	0	0	0
+E	E	83	82	82	0	0	0	0	0
+S	S	84	83	83	0	0	0	0	0
+I	I	85	84	84	0	0	0	0	0
+A	A	86	85	85	0	0	0	0	0
+A	A	87	86	86	0	0	0	0	0
+A	A	88	87	87	0	0	0	0	0
+A	A	89	88	88	0	0	0	0	0
+K	K	90	89	89	0	0	0	0	0
+E	E	91	90	90	0	0	0	0	0
+M	M	92	91	91	0	0	0	0	0
+I	I	93	92	92	0	0	0	0	0
+Q	Q	94	93	93	0	0	0	0	0
+V	V	95	94	94	0	0	0	0	0
+T	T	96	95	95	0	0	0	0	0
+E	E	97	96	96	0	0	0	0	0
+D	D	98	97	97	0	0	0	0	0
+D	D	99	98	98	0	0	0	0	0
+D	D	100	99	99	0	0	0	0	0
+T	T	101	100	100	0	0	0	0	0
+N	N	102	101	101	0	0	0	0	0
+V	V	103	102	102	0	0	0	0	0
+E	E	104	103	103	0	0	0	0	0
+L	L	105	104	104	0	0	0	0	0
+L	L	106	105	105	0	0	0	0	0
+G	G	107	106	106	0	0	0	0	0
+G	G	108	107	107	0	0	0	0	0
+G	G	109	108	108	0	0	0	0	0
+K	K	110	109	109	0	0	0	0	0
+R	R	111	110	110	0	0	0	0	0
+A	A	112	111	111	0	0	0	0	0
+L	L	113	112	112	0	0	0	0	0
+V	V	114	113	113	0	0	0	0	0
+Q	Q	115	114	114	0	0	0	0	0
+V	V	116	115	115	0	0	0	0	0
+P	P	117	116	116	0	0	0	0	0
+S	S	118	117	117	0	0	0	0	0
+A	A	119	118	118	0	0	0	0	0
+R	R	120	119	119	0	0	0	0	0
+F	F	121	120	120	0	0	0	0	0
+D	D	122	121	121	0	0	0	0	0
+V	V	123	122	122	0	0	0	0	0
+A	A	124	123	123	0	0	0	0	0
+A	A	125	124	124	0	0	0	0	0
+E	E	126	125	125	0	0	0	0	0
+Y	Y	127	126	126	0	0	0	0	0
+S	S	128	127	127	0	0	0	0	0
+A	A	129	128	128	0	0	0	0	0
+A	A	130	129	129	0	0	0	0	0
+P	P	131	130	130	0	0	0	0	0
+L	L	132	131	131	0	0	0	0	0
+V	V	133	132	132	0	0	0	0	0
+T	T	134	133	133	0	0	0	0	0
+A	A	135	134	134	0	0	0	0	0
+T	T	136	135	135	0	0	0	0	0
+A	A	137	136	136	0	0	0	0	0
+F	F	138	137	137	0	0	0	0	0
+V	V	139	138	138	0	0	0	0	0
+Q	Q	140	139	139	0	0	0	0	0
+A	A	141	140	140	0	0	0	0	0
+I	I	142	141	141	0	0	0	0	0
+I	I	143	142	142	0	0	0	0	0
+N	N	144	143	143	0	0	0	0	0
+E	E	145	144	144	0	0	0	0	0
+F	F	146	145	145	0	0	0	0	0
+D	D	147	146	146	0	0	0	0	0
+V	V	148	147	147	0	0	0	0	0
+S	S	149	148	148	0	0	0	0	0
+M	M	150	149	149	0	0	0	0	0
+Y	Y	151	150	150	0	0	0	0	0
+D	D	152	151	151	0	0	0	0	0
+A	A	153	152	152	0	0	0	0	0
+N	N	154	153	153	0	0	0	0	0
+M	M	155	154	154	0	0	0	0	0
+V	V	156	155	155	0	0	0	0	0
+K	K	157	156	156	0	0	0	0	0
+A	A	158	157	157	0	0	0	0	0
+A	A	159	158	158	0	0	0	0	0
+V	V	160	159	159	0	0	0	0	0
+L	L	161	160	160	0	0	0	0	0
+G	G	162	161	161	0	0	0	0	0
+R	R	163	162	162	0	0	0	0	0
+Y	Y	164	163	163	0	0	0	0	0
+P	P	165	164	164	0	0	0	0	0
+Q	Q	166	165	165	0	0	0	0	0
+S	S	167	166	166	0	0	0	0	0
+V	V	168	167	167	0	0	0	0	0
+E	E	169	168	168	0	0	0	0	0
+Y	Y	170	169	169	0	0	0	0	0
+M	M	171	170	170	0	0	0	0	0
+G	G	172	171	171	0	0	0	0	0
+A	A	173	172	172	0	0	0	0	0
+N	N	174	173	173	0	0	0	0	0
+I	I	175	174	174	0	0	0	0	0
+A	A	176	175	175	0	0	0	0	0
+T	T	177	176	176	0	0	0	0	0
+M	M	178	177	177	0	0	0	0	0
+L	L	179	178	178	0	0	0	0	0
+D	D	180	179	179	0	0	0	0	0
+I	I	181	180	180	0	0	0	0	0
+P	P	182	181	181	0	0	0	0	0
+Q	Q	183	182	182	0	0	0	0	0
+K	K	184	183	183	0	0	0	0	0
+L	L	185	184	184	0	0	0	0	0
+E	E	186	185	185	0	0	0	0	0
+G	G	187	186	186	0	0	0	0	0
+P	P	188	187	187	0	0	0	0	0
+G	G	189	188	188	0	0	0	0	0
+Y	Y	190	189	189	0	0	0	0	0
+A	A	191	190	190	0	0	0	0	0
+L	L	192	191	191	0	0	0	0	0
+R	R	193	192	192	0	0	0	0	0
+N	N	194	193	193	0	0	0	0	0
+I	I	195	194	194	0	0	0	0	0
+M	M	196	195	195	0	0	0	0	0
+V	V	197	196	196	0	0	0	0	0
+N	N	198	197	197	0	0	0	0	0
+H	H	199	198	198	0	0	0	0	0
+V	V	200	199	199	0	0	0	0	0
+V	V	201	200	200	0	0	0	0	0
+A	A	202	201	201	0	0	0	0	0
+A	A	203	202	202	0	0	0	0	0
+T	T	204	203	203	0	0	0	0	0
+L	L	205	204	204	0	0	0	0	0
+K	K	206	205	205	0	0	0	0	0
+N	N	207	206	206	0	0	0	0	0
+T	T	208	207	207	0	0	0	0	0
+L	L	209	208	208	0	0	0	0	0
+Q	Q	210	209	209	0	0	0	0	0
+A	A	211	210	210	0	0	0	0	0
+A	A	212	211	211	0	0	0	0	0
+A	A	213	212	212	0	0	0	0	0
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+I	I	443	442	442	0	0	0	0	0

atlas_1000_analysis/1hbn_E/1hbn_E_gyrate.tsv ADDED Viewed

	@@ -0,0 +1,1001 @@

+time	gyr_R1	gyr_R2	gyr_R3
+0.1	24.19	24.22	24.1
+0.2	24.16	24.19	24.12
+0.3	24.09	24.08	24.1
+0.4	24.14	24.23	24.16
+0.5	24.13	24.27	24.06
+0.6	24.14	24.07	24.05
+0.7	24.29	24.07	23.89
+0.8	24.09	24.02	24.06
+0.9	24.07	24.09	23.95
+1.0	23.96	24.09	24.15
+1.1	24.21	24.1	23.96
+1.2	24.03	24.04	24.02
+1.3	24.04	24.28	24.05
+1.4	24.03	24.23	24.0
+1.5	24.09	24.21	24.07
+1.6	24.01	24.26	24.12
+1.7	24.08	24.25	24.05
+1.8	24.03	24.2	24.08
+1.9	23.96	24.08	24.11
+2.0	23.91	24.24	24.2
+2.1	23.93	24.28	24.17
+2.2	24.05	24.31	24.18
+2.3	24.05	24.14	24.08
+2.4	24.21	24.25	24.02
+2.5	24.03	24.31	24.08
+2.6	24.08	24.13	24.21
+2.7	24.21	24.32	24.17
+2.8	23.95	24.2	24.15
+2.9	24.1	24.32	23.94
+3.0	24.12	24.29	24.2
+3.1	24.09	24.19	24.2
+3.2	24.05	24.21	24.03
+3.3	23.97	24.11	24.1
+3.4	24.08	24.22	24.12
+3.5	24.18	24.06	24.19
+3.6	24.05	24.05	24.01
+3.7	23.98	24.2	24.22
+3.8	24.09	24.43	24.11
+3.9	24.08	24.18	24.18
+4.0	23.96	24.18	24.07
+4.1	24.06	24.13	24.17
+4.2	24.02	24.15	24.09
+4.3	24.03	24.16	24.13
+4.4	24.11	24.25	24.16
+4.5	24.09	24.27	24.22
+4.6	24.11	24.26	24.02
+4.7	24.13	24.14	24.0
+4.8	24.11	24.28	24.06
+4.9	23.96	24.12	24.13
+5.0	24.1	24.19	24.02
+5.1	24.15	24.23	24.18
+5.2	23.99	24.2	24.24
+5.3	24.06	24.12	24.19
+5.4	24.17	24.08	24.23
+5.5	24.11	24.12	24.13
+5.6	23.97	24.08	24.17
+5.7	24.11	24.13	24.14
+5.8	23.96	24.24	24.13
+5.9	23.98	24.31	24.05
+6.0	23.96	24.11	23.99
+6.1	23.88	24.22	24.03
+6.2	23.97	24.1	24.24
+6.3	23.97	24.09	23.99
+6.4	23.91	24.18	23.96
+6.5	24.0	24.15	23.97
+6.6	23.97	24.13	23.91
+6.7	23.93	24.19	23.99
+6.8	23.88	24.1	23.9
+6.9	23.77	24.23	24.11
+7.0	23.88	24.28	24.23
+7.1	23.99	24.13	23.98
+7.2	23.97	24.2	23.97
+7.3	24.01	24.22	24.1
+7.4	23.98	24.22	23.98
+7.5	23.87	24.14	24.18
+7.6	23.83	24.04	24.13
+7.7	23.82	24.07	24.16
+7.8	23.86	24.17	24.11
+7.9	24.1	24.15	23.92
+8.0	23.93	24.17	23.93
+8.1	23.92	23.96	24.07
+8.2	23.9	24.33	23.84
+8.3	23.8	24.25	24.04
+8.4	23.88	24.12	24.03
+8.5	23.92	24.25	23.92
+8.6	23.92	24.17	24.03
+8.7	24.06	24.0	23.98
+8.8	23.92	24.08	23.86
+8.9	24.02	24.21	23.9
+9.0	24.01	24.0	23.99
+9.1	23.84	24.14	23.95
+9.2	23.95	23.99	23.95
+9.3	23.93	24.27	24.04
+9.4	23.99	24.17	24.04
+9.5	23.95	24.13	23.88
+9.6	24.08	24.26	23.94
+9.7	24.05	24.05	24.06
+9.8	24.2	24.02	24.02
+9.9	23.97	24.14	23.8
+10.0	23.89	24.11	23.94
+10.1	23.9	24.02	23.86
+10.2	24.08	24.16	23.98
+10.3	23.92	24.0	24.01
+10.4	23.95	24.08	23.73
+10.5	24.02	24.04	23.93
+10.6	24.01	24.2	24.13
+10.7	23.95	24.06	23.98
+10.8	23.89	24.08	23.92
+10.9	23.94	24.0	23.93
+11.0	24.06	24.05	23.96
+11.1	24.21	24.04	23.95
+11.2	24.03	23.89	23.98
+11.3	23.89	24.12	23.99
+11.4	23.94	24.05	23.96
+11.5	23.99	24.06	23.91
+11.6	23.93	24.01	24.14
+11.7	23.92	24.06	23.88
+11.8	24.04	24.26	23.84
+11.9	23.93	23.99	23.87
+12.0	23.88	24.05	24.0
+12.1	24.0	24.06	23.95
+12.2	24.06	24.09	24.09
+12.3	24.18	24.21	24.07
+12.4	24.11	24.22	23.93
+12.5	24.09	24.2	23.82
+12.6	24.13	24.21	23.98
+12.7	24.09	24.03	24.12
+12.8	24.06	24.1	23.88
+12.9	24.18	24.19	24.1
+13.0	24.01	24.11	23.99
+13.1	24.19	24.11	23.88
+13.2	24.07	24.15	23.97
+13.3	24.26	24.0	23.94
+13.4	24.18	24.08	23.88
+13.5	24.04	24.14	23.95
+13.6	24.01	24.19	23.99
+13.7	24.1	24.01	23.93
+13.8	24.15	23.83	24.02
+13.9	24.17	23.85	23.89
+14.0	23.97	24.1	24.01
+14.1	23.87	23.97	24.1
+14.2	23.88	23.89	23.91
+14.3	23.92	24.05	23.95
+14.4	23.87	23.96	23.95
+14.5	23.97	24.0	24.11
+14.6	24.02	24.04	24.02
+14.7	23.85	24.03	24.06
+14.8	23.98	24.09	23.95
+14.9	23.99	23.99	24.13
+15.0	24.25	24.16	24.03
+15.1	24.24	24.01	24.02
+15.2	24.03	24.06	23.97
+15.3	24.12	23.99	23.99
+15.4	24.2	23.95	23.92
+15.5	24.06	24.19	24.0
+15.6	24.15	24.06	23.9
+15.7	24.15	24.2	23.77
+15.8	23.94	24.11	23.97
+15.9	24.07	24.19	24.02
+16.0	24.04	24.12	23.97
+16.1	23.95	24.07	23.94
+16.2	24.11	24.12	23.85
+16.3	23.99	24.16	23.89
+16.4	23.98	23.95	23.95
+16.5	24.13	24.02	23.85
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+64.9	23.75	23.97	23.88
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+65.2	23.8	24.09	23.94
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+65.8	23.82	24.06	23.94
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+100.0	24.05	24.0	23.89

atlas_1000_analysis/1hbn_E/1hbn_E_pLDDT.tsv ADDED Viewed

	@@ -0,0 +1,443 @@

+seq	pLDDT
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+A	98.79
+V	98.75
+L	97.95
+G	98.08
+R	97.98
+Y	97.72
+P	97.15
+Q	97.47
+S	95.05
+V	93.05
+E	92.83
+Y	95.07
+M	96.23
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+I	98.23
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+M	96.6
+L	97.25
+D	94.79
+I	95.63
+P	96.85
+Q	96.32
+K	95.97
+L	97.88
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+G	96.98
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+G	97.04
+Y	98.43
+A	98.19
+L	98.6
+R	98.72
+N	98.21
+I	98.66
+M	98.61
+V	98.9
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+H	98.87
+V	98.88
+V	98.88
+A	98.77
+A	98.69
+T	98.81
+L	98.57
+K	98.63
+N	98.68
+T	98.62
+L	98.39
+Q	98.71
+A	98.85
+A	98.78
+A	98.9
+L	98.92
+S	98.91
+T	98.92
+I	98.93
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+T	98.93
+A	98.86
+M	98.88
+F	98.82
+E	98.69
+M	98.66
+G	98.53
+D	98.62
+A	98.58
+V	98.54
+G	98.09
+A	97.91
+F	98.54
+E	98.84
+R	98.81
+M	98.86
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+L	98.91
+L	98.94
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+L	98.9
+A	98.9
+Y	98.93
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+G	97.98
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+G	97.19
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+E	96.27
+K	96.17
+E	95.52
+L	94.11
+T	91.8
+D	92.74
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+K	97.1
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+Y	98.54
+G	98.29
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+D	97.47
+D	98.32
+L	98.25
+A	98.74
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+W	98.88
+N	98.94
+A	98.95
+Y	98.93
+A	98.95
+A	98.96
+A	98.96
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+L	98.96
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+A	98.95
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+A	98.74
+A	98.63
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+A	98.75
+A	98.76
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+G	97.19
+G	97.28
+G	97.86
+G	98.26
+P	98.61
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+G	98.63
+N	98.73
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+K	98.76
+G	98.39
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+I	98.92
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+C	98.94
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+A	98.9
+A	98.91
+M	98.9
+A	98.8
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+D	98.84
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+G	97.82
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+E	97.2
+A	97.22
+T	97.83
+S	98.18
+G	96.83
+L	96.8
+I	97.95
+K	97.67
+E	97.2
+V	98.13
+F	98.41
+S	98.17
+Q	98.11
+V	98.22
+D	98.22
+E	97.94
+F	98.52
+R	98.7
+E	98.66
+P	98.73
+L	98.57
+K	98.1
+Y	98.68
+V	98.74
+V	97.52
+E	97.85
+A	98.29
+A	98.43
+A	96.65
+E	97.41
+I	97.71
+K	95.66
+N	94.74
+E	94.27
+I	90.59

atlas_1000_analysis/1hbn_E/README.txt ADDED Viewed

	@@ -0,0 +1,40 @@

+These trajectories and corresponding analysis were downloaded from the ATLAS database (https://www.dsimb.inserm.fr/ATLAS).
+ATLAS gathers standardized molecular dynamics simulations of protein structures accompanied by their analysis in the form of interactive diagrams and trajectory visualization. All the raw trajectories as well as the results of analysis are available for download.
+ • ARCHIVE CONTENT •
+Protein structure and trajectory files:
+     - PDB_Name.pdb: Protein structure in PDB format used to launch the molecular dynamics (after energy minimisation and equilibrations).
+     - PDB_Name_corresp.tsv: Correspondence between the author residue number (PDB file / CIF file) and the new numbering (starting from 1).
+     - PDB_Name_R{1,2,3}.tpr: File containing the starting structure of the simulation, the molecular topology and all the simulation parameters.
+     - PDB_Name_R{1,2,3}.xtc: MD trajectory without solvent molecules. Each trajectory is of 100 ns with frames saved every 100 ps (1,000 frames in total).
+Results of MD simulation analysis:
+     - PDB_Name_Bfactor.tsv: Experimental B-factor values of the initial PDB structure (in Å²).
+     - PDB_Name_RMSF.tsv: RMSF values for the 3 MD replicates (in Å).
+     - PDB_Name_Neq.tsv: Local deformability index Neq for the 3 MD replicates.
+     - PDB_Name_RMSD.tsv: RMSD values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_gyr.tsv: Gyration radius values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_contacts.tsv: Residue-level interactions co-crystallized with the protein of interest (chain, ligands, ions and nucleotides within 6 Å threshold of the α-carbon of the residue).
+     - PDB_Name_pLDDT.tsv: AlphaFold2 pLDDT. pLDDT is the per-residue prediction confidence metric, not a flexibility measurement.
+See the ATLAS about page (https://www.dsimb.inserm.fr/ATLAS/about.html) for details.
+ • MOLECULAR DYNAMICS PARAMETERS •
+Download the ATLAS GROMACS molecular dynamics parameters (.mdp) and force-field files (CHARMM36m) with https://www.dsimb.inserm.fr/ATLAS/data/download/ATLAS_parameters.zip or using the REST API with `curl -X 'GET' 'https://www.dsimb.inserm.fr/ATLAS/api/MD_parameters' -o MD_parameters.zip`
+ • LICENSE •
+The ATLAS database is released under a Creative Commons Attribution-NonCommercial 4.0 International license (CC-BY-NC). This license is one of the Creative Commons licenses and allows users to share and adapt the dataset if they give credit to the copyright holder and do not use the dataset for any commercial purposes. See https://creativecommons.org/licenses/by-nc/4.0/ for details.
+Please contact us for commercial use.
+ • CONTACTS •
+For scientific collaboration, please contact:
+      Tatiana GALOCHKINA, Associate Professor, Université Paris Cité
+      tatiana.galochkina (at) u-paris.fr
+  or
+      Jean-Christophe GELLY, Professor, Université Paris Cité
+      jean-christophe.gelly (at) u-paris.fr

atlas_1000_analysis/1hbn_E/extract.done ADDED Viewed

	@@ -0,0 +1 @@


1	+ ok

atlas_1000_analysis/1hp1_A/1hp1_A.pdb ADDED Viewed

The diff for this file is too large to render. See raw diff

atlas_1000_analysis/1hp1_A/1hp1_A_Bfactor.tsv ADDED Viewed

	@@ -0,0 +1,517 @@

+Bfactor
+34.89
+35.8
+34.8
+33.15
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+7.2
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+9.12
+8.6
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+9.52
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+7.37
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+8.3
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+14.86
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+9.85
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+9.99
+8.69
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+10.03
+10.0
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+13.33
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+17.32
+14.19
+18.36
+23.43
+26.49
+21.04
+12.9
+10.04
+11.4
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+10.88
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+12.64
+14.54
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+14.34
+15.52
+13.69
+14.6
+20.11
+19.94
+17.84
+23.89
+25.75
+23.85
+21.95
+20.53
+16.98
+17.04
+14.48
+12.48
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+11.1
+8.95
+8.33
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+9.56
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+27.72
+32.13
+36.64
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+35.47
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+22.99
+21.09
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+25.6
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+15.46
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+19.42
+18.98
+19.49
+22.73
+29.29
+33.87
+40.14

atlas_1000_analysis/1hp1_A/1hp1_A_Neq.tsv ADDED Viewed

	@@ -0,0 +1,517 @@

+seq	Neq_R1	Neq_R2	Neq_R3
+Y	1.0	1.0	1.0
+E	1.0	1.0	1.0
+Q	1.009	1.015	3.657
+D	1.003	1.015	2.647
+K	1.009	1.019	3.04
+T	1.168	1.083	2.457
+Y	1.001	1.0	1.238
+K	1.003	1.0	1.072
+I	1.0	1.0	1.0
+T	1.0	1.0	1.0
+V	1.0	1.0	1.0
+L	1.0	1.0	1.0
+H	1.0	1.0	1.0
+T	1.0	1.0	1.0
+N	1.0	1.001	1.001
+D	1.011	1.0	1.009
+H	1.143	1.266	1.089
+H	1.008	1.0	1.016
+G	1.001	1.0	1.003
+H	1.524	1.591	1.545
+F	1.016	1.059	1.015
+W	1.847	1.818	1.847
+R	1.001	1.001	1.061
+N	1.003	1.007	1.229
+E	1.224	1.135	1.312
+Y	1.183	1.199	1.36
+G	1.413	1.143	1.132
+E	1.503	1.222	1.207
+Y	3.015	2.832	2.695
+G	1.0	1.0	1.001
+L	1.011	1.003	1.001
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+K	1.0	1.0	1.0
+T	1.0	1.0	1.0
+L	1.0	1.0	1.0
+V	1.0	1.0	1.0
+D	1.0	1.0	1.0
+G	1.0	1.0	1.0
+I	1.0	1.0	1.0
+R	1.0	1.0	1.0
+K	1.0	1.0	1.0
+E	1.0	1.0	1.0
+V	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+E	1.0	1.016	1.128
+G	1.0	1.0	1.005
+G	1.0	1.01	1.113
+S	1.271	1.239	1.381
+V	1.0	1.0	1.0
+L	1.0	1.0	1.0
+L	1.0	1.0	1.0
+L	1.0	1.0	1.0
+S	1.028	1.013	1.008
+G	1.135	1.644	1.14
+G	2.0	1.752	1.984
+D	2.726	3.408	2.475
+I	3.704	3.074	2.767
+N	1.519	1.454	2.986
+T	4.165	2.782	2.848
+G	1.98	1.307	1.999
+V	1.828	1.483	1.129
+P	1.444	1.613	1.129
+E	1.0	1.0	1.0
+S	1.0	1.0	1.0
+D	1.0	1.0	1.0
+L	1.0	1.0	1.0
+Q	2.208	2.348	2.163
+D	1.019	1.016	1.027
+A	1.0	1.004	1.002
+E	1.263	1.246	1.274
+P	1.0	1.0	1.0
+D	1.0	1.0	1.0
+F	1.0	1.0	1.0
+R	1.0	1.0	1.0
+G	1.0	1.0	1.0
+M	1.0	1.0	1.0
+N	1.0	1.0	1.0
+L	1.0	1.0	1.0
+V	1.0	1.0	1.0
+G	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+D	1.0	1.0	1.0
+A	1.077	1.134	1.064
+M	1.0	1.0	1.0
+A	1.0	1.0	1.0
+I	1.256	1.66	1.336
+G	1.252	1.521	1.262
+N	1.294	1.672	1.356
+H	1.33	1.851	1.498
+E	1.0	1.0	1.0
+F	1.002	1.002	1.003
+D	1.398	1.951	2.287
+N	1.792	1.28	1.356
+P	1.0	1.001	1.001
+L	1.0	1.0	1.0
+T	1.0	1.0	1.0
+V	1.0	1.0	1.0
+L	1.0	1.0	1.0
+R	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+E	1.0	1.0	1.0
+K	1.0	1.0	1.0
+W	1.163	1.289	1.188
+A	2.227	1.982	2.193
+K	1.974	2.016	1.981
+F	1.305	1.454	1.418
+P	1.004	1.004	1.01
+L	1.23	1.054	1.101
+L	1.006	1.0	1.0
+S	1.001	1.0	1.0
+A	1.001	1.001	1.0
+N	1.22	1.358	1.207
+I	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+Q	1.0	1.006	1.004
+K	1.0	1.008	1.005
+S	1.941	1.796	1.935
+T	1.0	1.001	1.0
+G	1.0	1.0	1.0
+E	1.0	1.0	1.0
+R	1.0	1.001	1.0
+L	1.0	1.0	1.0
+F	1.46	1.514	1.47
+K	1.007	1.013	1.011
+P	1.0	1.0	1.0
+W	1.096	1.054	1.085
+A	1.0	1.0	1.0
+L	1.0	1.0	1.0
+F	1.011	1.001	1.129
+K	1.0	1.0	1.0
+R	1.01	1.002	1.013
+Q	1.0	1.001	1.027
+D	1.955	1.736	1.907
+L	1.453	1.165	1.445
+K	1.006	1.0	1.004
+I	1.0	1.0	1.0
+A	1.0	1.0	1.0
+V	1.0	1.0	1.0
+I	1.0	1.0	1.0
+G	1.0	1.0	1.0
+L	1.0	1.0	1.0
+T	1.0	1.0	1.0
+T	1.0	1.001	1.001
+D	1.087	1.001	1.001
+D	1.018	1.001	1.001
+T	1.206	1.104	1.013
+A	1.207	1.16	1.022
+K	1.213	1.078	1.32
+I	2.609	2.167	2.119
+G	1.327	1.288	1.213
+N	3.334	2.473	2.37
+P	1.066	1.992	1.016
+E	1.027	1.988	1.0
+Y	1.962	3.465	1.482
+F	2.258	4.073	2.218
+T	2.013	4.017	2.008
+D	1.157	2.799	1.242
+I	1.004	1.849	1.001
+E	1.266	1.732	1.272
+F	1.0	1.0	1.001
+R	1.0	1.002	1.001
+K	1.0	1.001	1.0
+P	1.0	1.001	1.0
+A	1.0	1.001	1.0
+D	1.0	1.001	1.0
+E	1.0	1.0	1.0
+A	1.0	1.0	1.0
+K	1.0	1.0	1.0
+L	1.0	1.0	1.0
+V	1.0	1.0	1.0
+I	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+E	1.0	1.005	1.0
+L	1.0	1.0	1.0
+Q	1.001	1.024	1.06
+Q	1.019	1.553	4.185
+T	1.0	1.609	5.107
+E	1.0	1.546	2.608
+K	1.002	1.603	4.066
+P	1.209	1.594	1.735
+D	1.0	1.0	1.0
+I	1.551	1.392	1.322
+I	1.0	1.0	1.0
+I	1.0	1.0	1.0
+A	1.0	1.002	1.0
+A	1.0	1.003	1.0
+T	1.405	2.029	1.925
+H	1.408	2.435	1.339
+M	1.516	1.115	1.051
+G	2.244	1.704	1.166
+H	2.528	1.783	1.719
+Y	2.501	1.004	1.99
+D	3.889	1.696	2.452
+N	4.281	1.614	2.839
+G	5.213	1.545	3.399
+E	8.204	3.919	4.272
+H	7.974	5.644	4.966
+G	6.744	4.491	4.823
+S	5.684	7.191	3.519
+N	3.387	6.051	2.859
+A	2.68	1.719	2.171
+P	1.733	2.103	1.204
+G	1.463	1.063	1.003
+D	1.413	1.03	1.002
+V	1.503	1.09	1.017
+E	1.0	1.0	1.0
+M	1.0	1.0	1.0
+A	1.0	1.0	1.0
+R	1.0	1.0	1.0
+A	1.682	1.473	1.726
+L	1.605	1.832	1.683
+P	1.823	1.486	1.871
+A	1.0	1.0	1.0
+G	1.688	2.277	1.734
+S	2.101	2.172	1.952
+L	2.271	2.695	2.18
+A	1.018	1.173	1.054
+M	1.601	1.683	1.268
+I	1.0	1.0	1.0
+V	1.159	1.074	1.318
+G	1.0	1.0	1.0
+G	1.009	1.001	1.004
+H	2.625	3.115	2.893
+S	2.057	4.175	3.78
+Q	1.0	2.564	1.281
+D	1.85	1.611	1.761
+P	1.989	2.321	2.883
+V	1.91	1.303	1.03
+C	1.825	1.0	1.005
+M	2.635	1.162	2.147
+A	1.596	1.181	2.473
+A	2.0	2.163	3.612
+E	1.747	1.041	1.714
+N	1.078	1.0	1.259
+K	1.0	1.0	1.0
+K	1.367	1.008	1.229
+Q	1.011	1.0	1.001
+V	1.129	1.005	1.008
+D	1.24	1.01	1.021
+Y	1.166	1.016	1.024
+V	1.185	1.042	1.077
+P	1.085	1.0	1.0
+G	1.085	1.0	1.0
+T	1.081	1.0	1.0
+P	1.004	1.005	1.007
+C	1.0	1.0	1.0
+K	1.003	1.0	1.0
+P	1.0	1.0	1.0
+D	1.019	1.0	1.0
+Q	1.0	1.0	1.0
+Q	1.901	1.878	1.924
+N	1.001	1.017	1.011
+G	1.003	1.016	1.004
+I	1.0	1.0	1.0
+W	1.0	1.0	1.0
+I	1.002	1.002	1.0
+V	1.0	1.0	1.0
+Q	2.049	1.434	1.639
+A	1.531	1.449	2.443
+H	1.96	1.04	1.675
+E	1.177	1.115	1.533
+W	1.482	1.41	1.477
+G	1.033	1.001	1.001
+K	1.062	1.055	1.041
+Y	1.711	1.998	1.913
+V	1.0	1.0	1.0
+G	1.0	1.0	1.0
+R	1.0	1.0	1.0
+A	1.0	1.0	1.0
+D	1.0	1.0	1.0
+F	1.0	1.0	1.0
+E	1.02	1.0	1.013
+F	1.0	1.0	1.0
+R	1.787	1.48	1.915
+N	1.037	1.022	1.068
+G	1.015	1.001	1.05
+E	1.013	1.0	1.049
+M	1.002	1.0	1.0
+K	1.0	1.0	1.0
+M	1.005	1.0	1.002
+V	1.001	1.0	1.001
+N	1.279	1.19	1.317
+Y	1.002	1.001	1.003
+Q	1.0	1.0	1.0
+L	1.0	1.0	1.0
+I	1.003	1.0	1.0
+P	1.0	1.0	1.0
+V	1.002	1.0	1.002
+N	1.003	1.0	1.001
+L	1.005	1.023	1.069
+K	1.446	1.511	1.399
+K	1.829	1.965	2.033
+K	1.003	1.206	1.217
+R	1.0	1.004	1.004
+V	1.0	1.0	1.0
+L	1.261	1.064	1.089
+Y	1.156	1.001	1.004
+T	2.004	1.728	1.586
+P	1.159	1.001	1.003
+E	1.0	1.001	1.0
+I	1.0	1.0	1.002
+A	1.003	1.0	1.002
+E	1.002	1.0	1.0
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+I	1.0	1.0	1.0
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+L	1.0	1.0	1.0
+L	1.0	1.0	1.0
+S	1.0	1.0	1.0
+P	1.0	1.0	1.0
+F	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+N	1.0	1.0	1.0
+K	1.0	1.0	1.0
+G	1.0	1.0	1.006
+K	1.013	1.0	1.078
+A	1.0	1.0	1.001
+Q	1.003	1.0	1.027
+L	1.022	1.0	1.135
+E	2.562	2.177	2.322
+V	1.054	1.059	1.06
+K	1.809	1.776	1.623
+I	1.0	1.0	1.0
+G	1.005	1.002	1.002
+E	1.0	1.0	1.0
+T	1.193	1.283	1.15
+N	1.197	1.298	1.135
+G	1.571	1.648	1.521
+R	1.2	1.311	1.147
+L	1.0	1.0	1.0
+E	1.0	1.006	1.001
+G	1.0	1.003	1.0
+D	1.015	1.005	1.01
+R	1.001	1.0	1.0
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+K	1.0	1.0	1.0
+V	1.011	1.012	1.006
+R	1.022	1.048	1.009
+F	1.991	2.221	2.174
+V	1.132	1.107	1.11
+Q	1.0	1.0	1.0
+T	1.0	1.0	1.0
+N	1.0	1.0	1.0
+M	1.0	1.0	1.0
+G	1.0	1.0	1.0
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+L	1.0	1.0	1.0
+I	1.0	1.0	1.0
+L	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+M	1.0	1.0	1.0
+D	1.0	1.0	1.0
+R	1.0	1.0	1.0
+T	1.0	1.0	1.0
+G	1.0	1.0	1.0
+A	1.0	1.0	1.0
+D	1.0	1.0	1.0
+F	1.08	1.065	1.082
+A	1.0	1.0	1.0
+V	1.0	1.0	1.0
+M	1.0	1.0	1.0
+S	1.0	1.0	1.0
+G	1.0	1.0	1.0
+G	1.0	1.0	1.0
+G	1.355	1.282	1.299
+I	2.912	2.965	2.904
+R	1.207	1.16	1.18
+D	1.028	1.021	1.02
+S	1.001	1.0	1.0
+I	1.001	1.001	1.0
+E	1.018	1.016	1.018
+A	1.608	1.798	1.669
+G	1.505	1.648	1.56
+D	1.378	1.235	1.33
+I	1.006	1.004	1.004
+S	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+K	1.0	1.0	1.0
+N	1.0	1.0	1.0
+V	1.0	1.001	1.0
+L	1.0	1.0	1.0
+K	1.0	1.0	1.0
+V	1.977	1.987	2.007
+Q	1.02	1.022	1.013
+P	1.0	1.0	1.001
+F	1.097	1.109	1.114
+G	1.0	1.0	1.0
+N	1.0	1.001	1.0
+V	1.456	1.34	1.303
+V	1.0	1.0	1.0
+V	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+A	1.0	1.0	1.0
+D	1.0	1.0	1.0
+M	1.004	1.005	1.004
+T	1.0	1.001	1.0
+G	1.0	1.002	1.0
+K	1.0	1.0	1.0
+E	1.0	1.0	1.0
+V	1.0	1.0	1.0
+I	1.0	1.0	1.0
+D	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+L	1.0	1.0	1.0
+T	1.0	1.0	1.0
+A	1.0	1.0	1.0
+V	1.0	1.0	1.0
+A	1.0	1.001	1.0
+Q	1.638	1.626	1.586
+M	1.74	1.796	1.808
+K	1.58	1.529	1.546
+P	1.0	1.0	1.0
+D	1.0	1.0	1.0
+S	1.379	1.419	1.472
+G	1.01	1.004	1.004
+A	1.608	1.622	1.586
+Y	1.606	1.64	1.634
+P	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+F	1.0	1.0	1.0
+A	1.0	1.0	1.0
+N	1.0	1.0	1.0
+V	1.0	1.0	1.0
+S	1.002	1.004	1.004
+F	1.0	1.0	1.0
+V	1.01	1.008	1.018
+A	1.111	1.019	1.135
+K	1.948	1.949	1.959
+D	1.012	1.007	1.004
+G	1.004	1.001	1.0
+K	1.0	1.0	1.0
+L	1.522	1.507	1.344
+N	1.005	1.001	1.003
+D	1.004	1.0	1.002
+L	1.019	1.02	1.016
+K	1.037	1.049	1.03
+I	1.986	1.966	1.968
+K	1.138	1.042	1.018
+G	1.152	1.037	1.008
+E	1.136	1.035	1.007
+P	1.0	1.0	1.0
+V	1.001	1.0	1.0
+D	1.001	1.0	1.001
+P	1.002	1.003	1.012
+A	1.79	1.863	1.81
+K	1.017	1.007	1.009
+T	1.0	1.004	1.009
+Y	1.0	1.0	1.0
+R	1.0	1.0	1.0
+M	1.0	1.001	1.0
+A	1.0	1.0	1.0
+T	1.001	1.001	1.0
+L	1.0	1.0	1.0
+N	1.0	1.0	1.0
+F	1.0	1.0	1.0
+N	1.0	1.0	1.0
+A	1.0	1.0	1.001
+T	1.0	1.0	1.001
+G	1.915	1.973	1.998
+G	1.573	1.551	1.495
+D	1.195	1.206	1.214
+G	1.001	1.0	1.002
+Y	1.0	1.0	1.0
+P	1.0	1.003	1.003
+R	1.0	1.0	1.0
+L	1.002	1.001	1.0
+D	1.001	1.0	1.0
+N	2.467	3.013	2.829
+K	1.202	3.061	2.327
+P	1.167	2.044	1.785
+G	1.189	2.684	2.124
+Y	1.161	1.98	1.776
+V	1.007	1.033	1.005
+N	2.428	1.181	1.853
+T	2.522	1.485	2.149
+G	2.801	1.77	2.504
+F	2.014	1.0	1.475
+I	1.001	1.001	1.0
+D	1.0	1.0	1.0
+A	1.0	1.0	1.0
+E	1.0	1.0	1.0
+V	1.0	1.0	1.0
+L	1.0	1.0	1.0
+K	1.0	1.0	1.0
+A	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+I	1.0	1.0	1.0
+Q	1.001	1.0	1.0
+K	1.04	1.003	1.0
+S	3.614	3.57	3.62
+S	1.03	1.021	1.033
+P	1.03	1.0	1.0
+L	1.0	1.0	1.0
+D	1.0	1.0	1.0
+V	1.0	1.0	1.0
+S	1.0	1.0	1.0
+V	1.0	1.0	1.0
+Y	3.682	3.616	3.538
+E	1.022	1.022	1.013
+P	2.145	2.124	2.129
+K	1.025	1.027	1.032
+G	1.081	1.093	1.066
+E	1.059	1.053	1.067
+V	1.941	1.98	1.904
+S	1.0	1.0	1.0
+W	1.0	1.0	1.0
+Q	1.0	1.0	1.0

atlas_1000_analysis/1hp1_A/1hp1_A_RMSD.tsv ADDED Viewed

	@@ -0,0 +1,1002 @@

+time	RMSD_R1	RMSD_R2	RMSD_R3
+0.0	0.0	0.0	0.0
+0.1	1.02	0.91	1.09
+0.2	1.03	1.26	1.75
+0.3	0.99	1.79	1.66
+0.4	1.3	1.42	1.66
+0.5	1.57	1.32	1.38
+0.6	2.61	1.5	1.31
+0.7	2.34	1.44	1.19
+0.8	2.54	2.03	1.74
+0.9	2.6	2.11	1.17
+1.0	2.18	2.14	1.31
+1.1	2.44	2.74	1.29
+1.2	2.64	2.93	1.69
+1.3	1.99	2.67	2.06
+1.4	3.08	3.56	2.22
+1.5	3.53	2.89	3.24
+1.6	3.38	3.03	3.1
+1.7	3.35	3.4	3.42
+1.8	3.23	3.21	3.07
+1.9	3.07	2.76	2.99
+2.0	3.12	2.72	3.73
+2.1	3.01	3.0	3.31
+2.2	3.42	2.7	4.01
+2.3	3.52	2.92	3.16
+2.4	3.06	3.52	2.81
+2.5	2.11	3.65	2.95
+2.6	2.58	3.98	3.66
+2.7	2.64	3.89	3.51
+2.8	2.91	4.03	3.16
+2.9	2.96	3.78	3.13
+3.0	2.51	4.04	3.37
+3.1	2.42	3.64	3.13
+3.2	1.99	3.25	3.02
+3.3	2.4	3.27	3.02
+3.4	2.42	2.67	3.07
+3.5	2.28	2.12	3.09
+3.6	2.31	2.13	2.37
+3.7	2.3	1.68	1.97
+3.8	2.65	1.48	2.2
+3.9	2.72	1.99	3.01
+4.0	2.74	1.99	2.96
+4.1	3.06	1.93	3.75
+4.2	2.95	1.89	3.59
+4.3	3.05	2.22	3.2
+4.4	2.67	2.28	3.26
+4.5	2.76	2.04	2.43
+4.6	2.9	2.05	2.85
+4.7	3.69	2.24	2.82
+4.8	3.09	2.08	2.71
+4.9	3.45	1.85	2.46
+5.0	3.29	2.03	2.46
+5.1	3.88	1.72	2.12
+5.2	4.79	2.04	2.03
+5.3	4.47	1.84	2.33
+5.4	5.15	1.92	1.88
+5.5	4.75	2.53	1.65
+5.6	5.19	2.25	1.73
+5.7	4.53	2.46	1.56
+5.8	5.11	2.35	1.59
+5.9	5.06	2.25	1.86
+6.0	4.72	2.05	1.67
+6.1	4.35	2.38	1.62
+6.2	4.46	2.76	1.81
+6.3	4.03	2.74	1.79
+6.4	4.15	2.88	1.51
+6.5	4.26	3.15	1.61
+6.6	4.22	2.83	1.86
+6.7	4.32	2.62	2.23
+6.8	3.07	2.51	2.61
+6.9	3.06	2.86	2.63
+7.0	3.11	3.14	2.02
+7.1	3.49	2.86	2.12
+7.2	3.33	3.41	2.95
+7.3	3.34	2.57	2.62
+7.4	3.67	3.3	2.15
+7.5	3.81	2.95	2.45
+7.6	4.16	3.48	2.72
+7.7	3.76	3.12	2.93
+7.8	3.72	2.91	2.44
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+98.7	4.28	2.35	6.64
+98.8	3.95	2.56	6.28
+98.9	4.02	2.86	6.21
+99.0	4.02	2.91	6.76
+99.1	4.18	3.03	6.59
+99.2	4.42	2.53	6.68
+99.3	4.01	2.46	6.5
+99.4	4.21	2.42	6.26
+99.5	4.25	2.88	6.3
+99.6	4.28	3.3	6.38
+99.7	3.98	3.19	6.49
+99.8	4.08	2.93	6.33
+99.9	3.88	3.16	6.57
+100.0	3.82	3.27	6.36

atlas_1000_analysis/1hp1_A/1hp1_A_RMSF.tsv ADDED Viewed

	@@ -0,0 +1,517 @@

+seq	RMSF_R1	RMSF_R2	RMSF_R3
+Y	4.51	2.87	8.69
+E	4.0	2.56	6.75
+Q	3.94	2.41	5.68
+D	3.41	2.34	5.35
+K	2.62	2.1	3.89
+T	1.88	1.87	2.96
+Y	1.57	1.63	2.41
+K	1.48	1.58	2.2
+I	1.23	1.23	1.77
+T	1.08	1.15	1.48
+V	0.91	0.87	1.13
+L	0.88	0.86	0.93
+H	0.93	0.78	0.86
+T	1.04	0.88	1.02
+N	1.27	1.05	1.18
+D	1.47	1.26	1.45
+H	1.16	1.09	1.31
+H	1.35	1.3	1.69
+G	1.18	1.13	1.57
+H	1.15	1.12	1.47
+F	0.92	0.89	1.18
+W	1.12	1.08	1.34
+R	1.45	1.4	1.56
+N	1.85	1.77	1.98
+E	2.1	2.21	2.35
+Y	2.03	2.34	2.43
+G	1.76	2.03	2.04
+E	1.69	1.79	1.9
+Y	1.74	1.43	1.58
+G	1.26	1.15	1.28
+L	0.78	0.9	0.88
+A	0.75	1.06	0.86
+A	0.95	1.31	1.09
+Q	0.85	1.1	0.96
+K	0.72	1.05	0.79
+T	0.91	1.37	1.04
+L	0.99	1.4	1.22
+V	0.87	1.2	1.03
+D	1.0	1.4	1.14
+G	1.18	1.65	1.44
+I	1.11	1.5	1.46
+R	1.11	1.46	1.41
+K	1.38	1.83	1.73
+E	1.46	1.93	1.97
+V	1.34	1.66	1.9
+A	1.48	1.87	2.04
+A	1.74	2.22	2.39
+E	1.82	2.16	2.5
+G	1.72	2.01	2.39
+G	1.44	1.64	2.04
+S	1.25	1.37	1.65
+V	1.01	1.09	1.25
+L	0.85	0.76	0.94
+L	0.75	0.6	0.63
+L	0.72	0.44	0.45
+S	1.02	0.58	0.62
+G	0.93	0.81	0.85
+G	1.03	0.93	1.16
+D	1.26	1.18	1.52
+I	1.07	1.03	1.32
+N	1.26	1.3	1.61
+T	1.49	1.57	1.85
+G	1.66	1.62	1.85
+V	1.57	1.42	2.09
+P	1.69	1.49	2.26
+E	1.47	1.27	1.94
+S	1.37	1.14	1.74
+D	1.58	1.39	2.07
+L	1.74	1.48	2.29
+Q	1.49	1.22	1.99
+D	1.48	1.3	1.96
+A	1.18	1.02	1.59
+E	1.08	0.9	1.5
+P	0.89	0.74	1.22
+D	0.78	0.68	1.04
+F	0.77	0.64	1.02
+R	0.77	0.66	0.99
+G	0.64	0.61	0.72
+M	0.58	0.52	0.6
+N	0.65	0.67	0.79
+L	0.63	0.79	0.73
+V	0.59	0.76	0.63
+G	0.71	0.8	0.77
+Y	0.62	0.54	0.55
+D	0.81	0.6	0.72
+A	0.72	0.52	0.63
+M	0.86	0.58	0.69
+A	0.93	0.81	0.85
+I	1.15	1.09	1.21
+G	1.28	1.28	1.49
+N	1.54	1.61	2.12
+H	1.51	1.54	2.2
+E	1.26	1.38	2.0
+F	1.55	1.79	2.46
+D	1.8	2.06	2.8
+N	1.77	1.9	2.88
+P	1.9	2.12	2.97
+L	1.78	2.03	2.68
+T	1.91	2.03	2.83
+V	1.69	1.71	2.39
+L	1.45	1.53	2.04
+R	1.52	1.61	2.18
+Q	1.51	1.48	2.12
+Q	1.22	1.17	1.68
+E	1.15	1.21	1.64
+K	1.33	1.35	1.86
+W	1.18	1.05	1.57
+A	0.95	0.88	1.26
+K	0.99	0.97	1.27
+F	0.94	0.8	1.05
+P	1.07	0.89	1.13
+L	1.02	0.89	1.12
+L	0.9	0.88	1.02
+S	0.95	1.13	1.18
+A	0.9	1.35	1.1
+N	1.0	1.66	1.33
+I	1.18	1.92	1.67
+Y	1.3	2.28	1.9
+Q	1.56	2.78	2.17
+K	1.8	2.75	2.76
+S	2.09	3.16	3.25
+T	1.96	2.96	2.84
+G	1.66	2.8	2.26
+E	1.42	2.52	1.99
+R	1.24	2.09	1.75
+L	1.33	2.01	1.94
+F	1.15	1.49	1.65
+K	1.05	1.32	1.4
+P	0.9	1.18	1.06
+W	0.84	0.93	0.86
+A	0.94	0.94	0.98
+L	1.07	1.06	1.19
+F	1.16	1.15	1.52
+K	1.23	1.49	1.7
+R	1.26	1.66	1.9
+Q	1.66	2.26	2.32
+D	1.67	2.04	2.25
+L	1.52	1.56	1.82
+K	1.34	1.32	1.55
+I	1.05	0.97	1.19
+A	0.9	0.8	0.83
+V	0.71	0.58	0.55
+I	0.66	0.74	0.49
+G	0.69	0.83	0.68
+L	0.84	1.13	0.91
+T	1.05	1.41	1.27
+T	1.21	1.92	1.63
+D	1.39	1.99	1.94
+D	1.54	2.29	2.42
+T	1.8	1.88	2.63
+A	1.97	1.77	2.71
+K	2.25	1.51	2.68
+I	1.92	1.21	2.05
+G	1.6	1.19	1.42
+N	1.71	1.19	1.56
+P	2.86	1.71	2.49
+E	2.76	1.86	2.4
+Y	1.92	1.76	1.68
+F	1.74	1.93	1.9
+T	1.95	1.8	2.47
+D	2.04	2.61	2.79
+I	1.64	2.47	2.32
+E	1.52	2.51	2.2
+F	1.41	2.27	1.93
+R	1.23	2.23	1.77
+K	1.22	2.07	1.65
+P	1.01	1.58	1.35
+A	1.16	1.65	1.34
+D	1.17	1.83	1.41
+E	0.97	1.47	1.27
+A	0.94	1.13	1.02
+K	0.96	1.39	0.96
+L	1.03	1.49	1.16
+V	0.93	1.17	1.08
+I	0.93	1.13	1.0
+Q	1.12	1.49	1.3
+E	1.21	1.5	1.51
+L	1.14	1.23	1.54
+Q	1.36	1.51	1.9
+Q	1.62	1.95	2.08
+T	1.8	1.97	2.27
+E	1.68	2.06	2.29
+K	1.51	1.59	1.62
+P	1.32	1.19	1.3
+D	1.42	1.18	1.49
+I	1.21	0.89	1.18
+I	0.96	0.71	0.82
+I	0.87	0.56	0.66
+A	0.79	0.66	0.56
+A	0.76	0.68	0.61
+T	0.99	0.98	0.92
+H	1.17	1.18	1.31
+M	1.36	1.46	1.58
+G	2.26	1.61	1.85
+H	4.38	1.72	1.97
+Y	5.66	2.06	2.34
+D	7.27	2.29	2.8
+N	7.96	2.72	3.43
+G	9.16	2.99	5.1
+E	8.17	2.93	5.14
+H	7.56	3.09	5.58
+G	6.02	4.65	4.82
+S	5.57	5.42	4.81
+N	4.56	4.75	3.93
+A	3.21	3.76	2.78
+P	2.16	2.94	1.91
+G	1.76	2.65	1.77
+D	1.51	2.55	1.4
+V	1.67	2.64	1.7
+E	1.58	2.41	1.54
+M	1.18	1.99	1.21
+A	1.16	1.93	1.23
+R	1.33	2.48	1.5
+A	1.16	2.58	1.33
+L	0.99	2.1	1.18
+P	1.22	2.32	1.43
+A	1.46	2.09	1.66
+G	1.65	1.74	1.76
+S	1.18	1.48	1.31
+L	1.0	0.91	1.17
+A	1.19	0.95	1.29
+M	1.08	0.74	1.07
+I	0.98	0.79	0.92
+V	1.15	0.78	0.96
+G	1.4	1.1	1.1
+G	1.13	1.12	1.51
+H	1.52	1.47	1.87
+S	1.49	1.67	2.16
+Q	1.58	2.0	2.43
+D	1.7	2.19	2.4
+P	1.56	1.98	2.07
+V	1.55	1.78	2.0
+C	1.63	2.0	2.3
+M	1.92	2.16	2.54
+A	2.57	2.57	3.09
+A	3.35	2.67	3.3
+E	3.66	2.56	3.34
+N	3.39	2.36	3.09
+K	2.8	2.42	2.87
+K	2.13	2.29	2.66
+Q	2.08	2.52	2.94
+V	2.26	2.74	3.3
+D	2.3	2.79	3.32
+Y	2.07	2.56	2.9
+V	2.21	2.69	2.99
+P	2.3	2.69	2.77
+G	2.31	2.91	2.91
+T	2.28	2.84	2.93
+P	1.99	2.57	2.81
+C	1.66	2.14	2.42
+K	1.64	2.0	2.35
+P	1.42	1.67	1.92
+D	1.49	1.64	1.94
+Q	1.56	1.77	1.88
+Q	1.54	1.74	1.79
+N	1.56	1.74	1.78
+G	1.6	1.41	1.76
+I	1.22	1.11	1.43
+W	1.24	1.19	1.49
+I	1.22	1.19	1.41
+V	1.26	1.24	1.42
+Q	1.29	1.27	1.47
+A	1.34	1.32	1.6
+H	1.64	1.5	1.73
+E	2.0	1.55	1.66
+W	2.11	1.38	1.65
+G	1.9	1.29	1.46
+K	1.52	1.57	1.7
+Y	1.42	1.51	1.62
+V	1.09	1.24	1.29
+G	1.09	1.24	1.42
+R	1.08	1.27	1.48
+A	1.12	1.24	1.61
+D	1.25	1.37	1.86
+F	1.34	1.36	2.0
+E	1.5	1.46	2.18
+F	1.5	1.38	2.23
+R	2.22	1.63	1.97
+N	2.68	1.78	2.24
+G	2.05	1.54	2.5
+E	1.63	1.52	2.53
+M	1.49	1.4	2.41
+K	1.56	1.55	2.26
+M	1.48	1.49	2.18
+V	1.6	1.68	2.34
+N	1.56	1.75	2.31
+Y	1.4	1.59	2.02
+Q	1.48	1.7	2.2
+L	1.4	1.66	1.99
+I	1.39	1.66	1.8
+P	1.59	1.76	1.88
+V	1.53	1.58	1.64
+N	1.82	1.83	1.88
+L	2.31	2.02	2.17
+K	2.97	2.32	2.63
+K	3.6	3.32	3.17
+K	4.54	3.63	3.75
+R	4.71	3.33	3.6
+V	4.17	3.68	3.42
+L	3.25	2.93	3.01
+Y	3.06	2.72	3.21
+T	2.82	2.45	2.74
+P	2.37	2.44	2.44
+E	1.83	2.14	1.98
+I	1.39	1.84	1.65
+A	1.23	1.73	1.41
+E	0.97	1.43	1.13
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+M	0.63	0.92	0.74
+I	0.77	1.01	0.88
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+L	0.85	0.78	1.09
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+D	1.37	1.17	1.52
+A	1.27	1.17	1.44
+E	1.3	1.21	1.52
+V	1.11	0.98	1.17
+L	0.93	0.88	0.9
+K	0.98	1.08	1.12
+A	1.07	1.12	1.26
+Y	0.87	0.98	0.96
+I	0.84	1.04	0.94
+Q	1.06	1.29	1.33
+K	1.2	1.36	1.52
+S	1.06	1.32	1.35
+S	1.11	1.43	1.4
+P	1.28	1.53	1.6
+L	1.16	1.28	1.4
+D	1.38	1.36	1.72
+V	1.36	1.16	1.68
+S	1.61	1.39	2.08
+V	1.42	1.33	1.82
+Y	1.21	1.04	1.52
+E	1.52	1.19	1.96
+P	1.58	1.3	2.07
+K	1.84	1.63	2.45
+G	1.96	1.74	2.62
+E	1.71	1.72	2.27
+V	1.79	1.78	2.35
+S	2.21	2.05	2.88
+W	2.49	2.28	3.18
+Q	3.0	2.67	3.7

atlas_1000_analysis/1hp1_A/1hp1_A_contacts.tsv ADDED Viewed

	@@ -0,0 +1,517 @@

+seq	nb_chain	nb_ligand	nb_ion	nb_nucleotide	name_chain	name_ligand	name_ion	name_nucleotide
+Y	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+D	0	0	1	0	-	-	A:ZN,600	-
+H	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+N	0	0	1	0	-	-	A:SO4,603	-
+E	0	0	1	0	-	-	A:SO4,603	-
+Y	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+D	0	0	2	0	-	-	A:ZN,600;A:ZN,601	-
+I	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
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+G	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
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+A	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+G	0	0	1	0	-	-	A:ZN,601	-
+N	0	0	2	0	-	-	A:ZN,601;A:CO3,602	-
+H	0	0	2	0	-	-	A:ZN,601;A:CO3,602	-
+E	0	0	0	0	-	-	-	-
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+D	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
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+S	0	0	0	0	-	-	-	-
+T	0	0	1	0	-	-	A:SO4,605	-
+G	0	0	1	0	-	-	A:SO4,605	-
+E	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
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+P	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
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+Q	0	0	0	0	-	-	-	-
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+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
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+T	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
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+I	0	0	0	0	-	-	-	-
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+N	0	0	0	0	-	-	-	-
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+H	0	0	3	0	-	-	A:ZN,600;A:ZN,601;A:CO3,602	-
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atlas_1000_analysis/1hp1_A/1hp1_A_corresp.tsv ADDED Viewed

	@@ -0,0 +1,517 @@

+UnP_seq	PDB_seq	PDB_num	CIF_num	UnP_num	gap	hetatm	corrected	no_fullbb	no_ca
+Y	Y	26	1	1	0	0	0	0	0
+E	E	27	2	2	0	0	0	0	0
+Q	Q	28	3	3	0	0	0	0	0
+D	D	29	4	4	0	0	0	0	0
+K	K	30	5	5	0	0	0	0	0
+T	T	31	6	6	0	0	0	0	0
+Y	Y	32	7	7	0	0	0	0	0
+K	K	33	8	8	0	0	0	0	0
+I	I	34	9	9	0	0	0	0	0
+T	T	35	10	10	0	0	0	0	0
+V	V	36	11	11	0	0	0	0	0
+L	L	37	12	12	0	0	0	0	0
+H	H	38	13	13	0	0	0	0	0
+T	T	39	14	14	0	0	0	0	0
+N	N	40	15	15	0	0	0	0	0
+D	D	41	16	16	0	0	0	0	0
+H	H	42	17	17	0	0	0	0	0
+H	H	43	18	18	0	0	0	0	0
+G	G	44	19	19	0	0	0	0	0
+H	H	45	20	20	0	0	0	0	0
+F	F	46	21	21	0	0	0	0	0
+W	W	47	22	22	0	0	0	0	0
+R	R	48	23	23	0	0	0	0	0
+N	N	49	24	24	0	0	0	0	0
+E	E	50	25	25	0	0	0	0	0
+Y	Y	51	26	26	0	0	0	0	0
+G	G	52	27	27	0	0	0	0	0
+E	E	53	28	28	0	0	0	0	0
+Y	Y	54	29	29	0	0	0	0	0
+G	G	55	30	30	0	0	0	0	0
+L	L	56	31	31	0	0	0	0	0
+A	A	57	32	32	0	0	0	0	0
+A	A	58	33	33	0	0	0	0	0
+Q	Q	59	34	34	0	0	0	0	0
+K	K	60	35	35	0	0	0	0	0
+T	T	61	36	36	0	0	0	0	0
+L	L	62	37	37	0	0	0	0	0
+V	V	63	38	38	0	0	0	0	0
+D	D	64	39	39	0	0	0	0	0
+G	G	65	40	40	0	0	0	0	0
+I	I	66	41	41	0	0	0	0	0
+R	R	67	42	42	0	0	0	0	0
+K	K	68	43	43	0	0	0	0	0
+E	E	69	44	44	0	0	0	0	0
+V	V	70	45	45	0	0	0	0	0
+A	A	71	46	46	0	0	0	0	0
+A	A	72	47	47	0	0	0	0	0
+E	E	73	48	48	0	0	0	0	0
+G	G	74	49	49	0	0	0	0	0
+G	G	75	50	50	0	0	0	0	0
+S	S	76	51	51	0	0	0	0	0
+V	V	77	52	52	0	0	0	0	0
+L	L	78	53	53	0	0	0	0	0
+L	L	79	54	54	0	0	0	0	0
+L	L	80	55	55	0	0	0	0	0
+S	S	81	56	56	0	0	0	0	0
+G	G	82	57	57	0	0	0	0	0
+G	G	83	58	58	0	0	0	0	0
+D	D	84	59	59	0	0	0	0	0
+I	I	85	60	60	0	0	0	0	0
+N	N	86	61	61	0	0	0	0	0
+T	T	87	62	62	0	0	0	0	0
+G	G	88	63	63	0	0	0	0	0
+V	V	89	64	64	0	0	0	0	0
+P	P	90	65	65	0	0	0	0	0
+E	E	91	66	66	0	0	0	0	0
+S	S	92	67	67	0	0	0	0	0
+D	D	93	68	68	0	0	0	0	0
+L	L	94	69	69	0	0	0	0	0
+Q	Q	95	70	70	0	0	0	0	0
+D	D	96	71	71	0	0	0	0	0
+A	A	97	72	72	0	0	0	0	0
+E	E	98	73	73	0	0	0	0	0
+P	P	99	74	74	0	0	0	0	0
+D	D	100	75	75	0	0	0	0	0
+F	F	101	76	76	0	0	0	0	0
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+G	G	103	78	78	0	0	0	0	0
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+N	N	105	80	80	0	0	0	0	0
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+V	V	107	82	82	0	0	0	0	0
+G	G	108	83	83	0	0	0	0	0
+Y	Y	109	84	84	0	0	0	0	0
+D	D	110	85	85	0	0	0	0	0
+A	A	111	86	86	0	0	0	0	0
+M	M	112	87	87	0	0	0	0	0
+A	A	113	88	88	0	0	0	0	0
+I	I	114	89	89	0	0	0	0	0
+G	G	115	90	90	0	0	0	0	0
+N	N	116	91	91	0	0	0	0	0
+H	H	117	92	92	0	0	0	0	0
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+F	F	119	94	94	0	0	0	0	0
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+P	P	122	97	97	0	0	0	0	0
+L	L	123	98	98	0	0	0	0	0
+T	T	124	99	99	0	0	0	0	0
+V	V	125	100	100	0	0	0	0	0
+L	L	126	101	101	0	0	0	0	0
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+Q	Q	129	104	104	0	0	0	0	0
+E	E	130	105	105	0	0	0	0	0
+K	K	131	106	106	0	0	0	0	0
+W	W	132	107	107	0	0	0	0	0
+A	A	133	108	108	0	0	0	0	0
+K	K	134	109	109	0	0	0	0	0
+F	F	135	110	110	0	0	0	0	0
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+L	L	138	113	113	0	0	0	0	0
+S	S	139	114	114	0	0	0	0	0
+A	A	140	115	115	0	0	0	0	0
+N	N	141	116	116	0	0	0	0	0
+I	I	142	117	117	0	0	0	0	0
+Y	Y	143	118	118	0	0	0	0	0
+Q	Q	144	119	119	0	0	0	0	0
+K	K	145	120	120	0	0	0	0	0
+S	S	146	121	121	0	0	0	0	0
+T	T	147	122	122	0	0	0	0	0
+G	G	148	123	123	0	0	0	0	0
+E	E	149	124	124	0	0	0	0	0
+R	R	150	125	125	0	0	0	0	0
+L	L	151	126	126	0	0	0	0	0
+F	F	152	127	127	0	0	0	0	0
+K	K	153	128	128	0	0	0	0	0
+P	P	154	129	129	0	0	0	0	0
+W	W	155	130	130	0	0	0	0	0
+A	A	156	131	131	0	0	0	0	0
+L	L	157	132	132	0	0	0	0	0
+F	F	158	133	133	0	0	0	0	0
+K	K	159	134	134	0	0	0	0	0
+R	R	160	135	135	0	0	0	0	0
+Q	Q	161	136	136	0	0	0	0	0
+D	D	162	137	137	0	0	0	0	0
+L	L	163	138	138	0	0	0	0	0
+K	K	164	139	139	0	0	0	0	0
+I	I	165	140	140	0	0	0	0	0
+A	A	166	141	141	0	0	0	0	0
+V	V	167	142	142	0	0	0	0	0
+I	I	168	143	143	0	0	0	0	0
+G	G	169	144	144	0	0	0	0	0
+L	L	170	145	145	0	0	0	0	0
+T	T	171	146	146	0	0	0	0	0
+T	T	172	147	147	0	0	0	0	0
+D	D	173	148	148	0	0	0	0	0
+D	D	174	149	149	0	0	0	0	0
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+A	A	176	151	151	0	0	0	0	0
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+I	I	178	153	153	0	0	0	0	0
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+N	N	180	155	155	0	0	0	0	0
+P	P	181	156	156	0	0	0	0	0
+E	E	182	157	157	0	0	0	0	0
+Y	Y	183	158	158	0	0	0	0	0
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+Q	Q	205	180	180	0	0	0	0	0
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+I	I	213	188	188	0	0	0	0	0
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atlas_1000_analysis/1hp1_A/1hp1_A_gyrate.tsv ADDED Viewed

	@@ -0,0 +1,1001 @@

+time	gyr_R1	gyr_R2	gyr_R3
+0.1	24.96	24.95	25.01
+0.2	24.96	25.16	25.29
+0.3	24.95	25.31	25.32
+0.4	25.04	25.21	25.21
+0.5	25.29	25.18	25.12
+0.6	25.55	25.21	25.0
+0.7	25.61	25.17	25.01
+0.8	25.53	25.51	25.25
+0.9	25.53	25.48	24.95
+1.0	25.35	25.43	25.08
+1.1	25.57	25.89	25.05
+1.2	25.56	25.9	25.31
+1.3	25.33	25.6	25.43
+1.4	25.68	26.0	25.58
+1.5	26.0	25.67	25.83
+1.6	25.85	25.64	25.66
+1.7	25.86	25.76	25.85
+1.8	25.75	25.78	25.59
+1.9	25.73	25.59	25.7
+2.0	25.65	25.62	25.99
+2.1	25.58	25.62	25.79
+2.2	25.77	25.61	26.09
+2.3	25.85	25.7	25.68
+2.4	25.62	25.95	25.49
+2.5	25.14	26.1	25.78
+2.6	25.33	26.23	26.11
+2.7	25.43	26.11	25.96
+2.8	25.62	26.15	25.91
+2.9	25.62	26.0	25.78
+3.0	25.46	26.2	25.91
+3.1	25.33	25.96	25.87
+3.2	25.18	25.76	25.81
+3.3	25.31	25.75	25.8
+3.4	25.38	25.6	25.62
+3.5	25.26	25.35	25.68
+3.6	25.41	25.43	25.32
+3.7	25.32	25.09	25.12
+3.8	25.43	25.1	25.3
+3.9	25.53	25.36	25.49
+4.0	25.7	25.49	25.59
+4.1	25.8	25.3	25.89
+4.2	25.71	25.3	25.83
+4.3	25.81	25.58	25.64
+4.4	25.6	25.54	25.62
+4.5	25.6	25.46	25.43
+4.6	25.74	25.51	25.64
+4.7	26.06	25.35	25.71
+4.8	25.83	25.33	25.62
+4.9	25.93	25.18	25.5
+5.0	25.91	25.3	25.46
+5.1	26.11	25.2	25.4
+5.2	26.34	25.21	25.36
+5.3	26.12	25.29	25.5
+5.4	26.32	25.33	25.18
+5.5	26.37	25.4	25.05
+5.6	26.33	25.3	25.2
+5.7	26.29	25.42	24.87
+5.8	26.51	25.28	25.01
+5.9	26.34	25.39	25.25
+6.0	26.25	25.23	25.24
+6.1	26.2	25.46	25.15
+6.2	26.16	25.51	25.13
+6.3	26.12	25.56	25.27
+6.4	26.11	25.68	24.96
+6.5	26.2	25.79	25.21
+6.6	25.91	25.62	25.26
+6.7	26.04	25.51	25.31
+6.8	25.71	25.48	25.55
+6.9	25.65	25.63	25.53
+7.0	25.6	25.68	25.29
+7.1	25.64	25.55	25.24
+7.2	25.85	25.75	25.59
+7.3	25.74	25.51	25.43
+7.4	25.96	25.75	25.17
+7.5	25.82	25.72	25.47
+7.6	25.91	25.86	25.41
+7.7	25.9	25.7	25.6
+7.8	25.97	25.65	25.38
+7.9	25.93	25.54	25.64
+8.0	25.63	25.34	25.55
+8.1	26.11	25.55	25.6
+8.2	25.97	25.79	25.66
+8.3	26.17	25.5	25.28
+8.4	25.83	25.45	25.32
+8.5	25.78	25.51	25.41
+8.6	25.98	25.79	25.42
+8.7	25.89	25.59	25.49
+8.8	25.8	25.71	25.42
+8.9	25.86	25.68	25.28
+9.0	25.99	25.48	25.29
+9.1	26.09	25.66	25.51
+9.2	26.09	25.74	25.31
+9.3	26.03	25.44	25.46
+9.4	25.95	25.81	25.59
+9.5	25.91	25.88	25.4
+9.6	25.93	25.88	25.64
+9.7	25.93	25.56	25.55
+9.8	25.67	25.59	25.39
+9.9	25.73	25.67	25.42
+10.0	25.78	25.62	25.45
+10.1	25.79	25.64	25.37
+10.2	26.08	25.67	25.53
+10.3	25.99	25.61	25.6
+10.4	25.96	25.58	25.41
+10.5	25.76	25.56	25.65
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+56.1	25.96	26.06	26.83
+56.2	25.96	26.22	26.78
+56.3	25.96	26.14	26.82
+56.4	26.1	26.26	26.59
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+56.7	25.97	26.05	26.75
+56.8	26.06	26.22	26.92
+56.9	26.03	26.44	26.9
+57.0	25.93	26.3	26.9
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+99.9	25.55	25.64	26.81
+100.0	25.43	25.77	26.69

atlas_1000_analysis/1hp1_A/1hp1_A_pLDDT.tsv ADDED Viewed

	@@ -0,0 +1,517 @@

+seq	pLDDT
+Y	94.18
+E	94.58
+Q	95.64
+D	96.17
+K	97.61
+T	98.11
+Y	98.31
+K	98.42
+I	98.41
+T	98.79
+V	98.88
+L	98.95
+H	98.87
+T	98.88
+N	98.76
+D	98.7
+H	98.32
+H	98.34
+G	97.72
+H	97.97
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+These trajectories and corresponding analysis were downloaded from the ATLAS database (https://www.dsimb.inserm.fr/ATLAS).
+ATLAS gathers standardized molecular dynamics simulations of protein structures accompanied by their analysis in the form of interactive diagrams and trajectory visualization. All the raw trajectories as well as the results of analysis are available for download.
+ • ARCHIVE CONTENT •
+Protein structure and trajectory files:
+     - PDB_Name.pdb: Protein structure in PDB format used to launch the molecular dynamics (after energy minimisation and equilibrations).
+     - PDB_Name_corresp.tsv: Correspondence between the author residue number (PDB file / CIF file) and the new numbering (starting from 1).
+     - PDB_Name_R{1,2,3}.tpr: File containing the starting structure of the simulation, the molecular topology and all the simulation parameters.
+     - PDB_Name_R{1,2,3}.xtc: MD trajectory without solvent molecules. Each trajectory is of 100 ns with frames saved every 100 ps (1,000 frames in total).
+Results of MD simulation analysis:
+     - PDB_Name_Bfactor.tsv: Experimental B-factor values of the initial PDB structure (in Å²).
+     - PDB_Name_RMSF.tsv: RMSF values for the 3 MD replicates (in Å).
+     - PDB_Name_Neq.tsv: Local deformability index Neq for the 3 MD replicates.
+     - PDB_Name_RMSD.tsv: RMSD values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_gyr.tsv: Gyration radius values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_contacts.tsv: Residue-level interactions co-crystallized with the protein of interest (chain, ligands, ions and nucleotides within 6 Å threshold of the α-carbon of the residue).
+     - PDB_Name_pLDDT.tsv: AlphaFold2 pLDDT. pLDDT is the per-residue prediction confidence metric, not a flexibility measurement.
+See the ATLAS about page (https://www.dsimb.inserm.fr/ATLAS/about.html) for details.
+ • MOLECULAR DYNAMICS PARAMETERS •
+Download the ATLAS GROMACS molecular dynamics parameters (.mdp) and force-field files (CHARMM36m) with https://www.dsimb.inserm.fr/ATLAS/data/download/ATLAS_parameters.zip or using the REST API with `curl -X 'GET' 'https://www.dsimb.inserm.fr/ATLAS/api/MD_parameters' -o MD_parameters.zip`
+ • LICENSE •
+The ATLAS database is released under a Creative Commons Attribution-NonCommercial 4.0 International license (CC-BY-NC). This license is one of the Creative Commons licenses and allows users to share and adapt the dataset if they give credit to the copyright holder and do not use the dataset for any commercial purposes. See https://creativecommons.org/licenses/by-nc/4.0/ for details.
+Please contact us for commercial use.
+ • CONTACTS •
+For scientific collaboration, please contact:
+      Tatiana GALOCHKINA, Associate Professor, Université Paris Cité
+      tatiana.galochkina (at) u-paris.fr
+  or
+      Jean-Christophe GELLY, Professor, Université Paris Cité
+      jean-christophe.gelly (at) u-paris.fr

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