sxsaxx commited on May 29

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+P	1.006	1.008	1.004
+A	1.004	1.001	1.002
+D	1.0	1.0	1.0
+K	1.001	1.0	1.002
+K	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
+N	1.0	1.0	1.0
+N	1.0	1.0	1.0
+A	1.0	1.0	1.0
+G	1.0	1.0	1.0
+G	1.0	1.0	1.0
+H	1.0	1.0	1.0
+A	1.0	1.0	1.0
+N	1.0	1.0	1.0
+H	1.0	1.0	1.0
+S	1.0	1.0	1.0
+L	1.0	1.0	1.0
+F	1.0	1.0	1.0
+W	1.0	1.003	1.0
+K	1.001	1.012	1.0
+G	2.061	1.75	1.585
+L	1.016	1.02	1.034
+K	2.336	2.412	2.378
+K	1.0	1.0	1.0
+G	1.001	1.001	1.0
+T	1.0	1.0	1.0
+T	1.093	1.119	1.099
+L	1.34	1.011	1.063
+Q	1.666	1.382	1.433
+G	1.342	1.011	1.067
+D	1.143	1.137	1.133
+L	1.792	1.657	1.695
+K	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+I	1.0	1.0	1.0
+E	1.0	1.0	1.0
+R	1.0	1.0	1.0
+D	1.0	1.0	1.0
+F	1.001	1.0	1.0
+G	1.0	1.0	1.0
+S	1.005	1.002	1.0
+V	1.619	1.588	1.545
+D	1.0	1.0	1.0
+N	1.0	1.0	1.0
+F	1.0	1.0	1.0
+K	1.0	1.0	1.0
+A	1.0	1.0	1.0
+E	1.0	1.0	1.0
+F	1.0	1.0	1.0
+E	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	1.001
+A	1.003	1.002	1.002
+S	2.475	2.612	2.877
+R	1.0	1.139	1.005
+F	1.377	1.52	1.715
+G	1.159	1.42	1.356
+S	1.397	1.599	1.694
+G	1.011	1.013	1.22
+W	1.0	1.0	1.05
+A	1.0	1.0	1.001
+W	1.0	1.0	1.0
+L	1.0	1.0	1.0
+V	1.0	1.0	1.0
+L	1.063	1.029	1.027
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+G	1.047	1.842	1.019
+D	2.077	3.047	2.008
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+L	1.0	1.001	1.002
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+V	1.0	1.0	1.0
+V	1.0	1.0	1.0
+S	1.0	1.0	1.0
+T	1.058	1.0	1.0
+A	1.073	1.014	1.011
+N	1.065	1.004	1.002
+Q	2.127	2.099	1.806
+D	1.329	1.602	1.724
+S	1.004	1.034	1.025
+P	1.002	1.022	1.003
+L	1.214	2.224	1.31
+M	1.009	1.922	1.931
+G	2.565	3.588	2.642
+E	1.985	1.974	1.994
+A	1.0	1.0	1.969
+I	1.0	1.005	4.138
+S	1.0	1.009	3.598
+G	1.0	1.13	4.169
+A	1.391	1.546	3.689
+S	1.079	1.288	2.43
+G	1.717	2.252	2.245
+F	1.002	1.048	1.004
+P	1.0	1.0	1.0
+I	1.0	1.0	1.0
+M	1.682	1.729	1.774
+G	1.0	1.0	1.0
+L	1.0	1.0	1.0
+D	1.104	1.25	1.482
+V	1.042	1.213	1.521
+W	1.004	1.106	1.182
+E	1.0	1.013	1.137
+H	1.0	1.0	1.061
+A	1.008	1.042	1.101
+Y	1.0	1.001	1.02
+F	1.0	1.01	1.009
+L	1.0	1.004	1.005
+K	1.0	1.0	1.0
+F	2.175	1.158	1.199
+Q	1.559	1.68	1.533
+N	1.578	1.507	1.527
+R	1.53	1.721	1.914
+R	1.253	1.715	1.674
+P	1.001	1.007	1.029
+D	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+I	1.0	1.0	1.0
+K	1.0	1.0	1.0
+E	1.0	1.0	1.0
+F	1.0	1.0	1.0
+W	1.0	1.003	1.015
+N	1.0	1.003	1.015
+V	3.822	3.463	2.98
+V	1.011	1.022	1.05
+N	1.003	1.0	1.006
+W	1.0	1.0	1.0
+D	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
+R	1.0	1.0	1.0
+F	1.118	1.0	1.0
+A	3.34	1.0	1.0
+A	3.053	1.561	1.969
+K	1.0	1.0	1.0
+K	1.0	1.0	1.0

atlas_1000_analysis/1ix9_A/1ix9_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	0.93	0.68	0.79
+0.2	1.01	0.93	0.89
+0.3	1.06	0.82	0.76
+0.4	0.93	0.75	0.89
+0.5	0.98	0.81	0.78
+0.6	1.05	0.83	1.04
+0.7	1.28	0.95	1.05
+0.8	1.11	0.93	0.95
+0.9	1.15	1.19	1.16
+1.0	1.04	1.28	1.05
+1.1	1.19	1.44	0.91
+1.2	1.06	1.07	0.84
+1.3	1.16	1.42	0.89
+1.4	1.12	1.27	0.92
+1.5	1.19	1.32	0.98
+1.6	1.06	1.21	1.07
+1.7	0.92	1.19	0.95
+1.8	1.05	1.4	0.96
+1.9	1.18	1.63	0.95
+2.0	1.13	1.4	0.99
+2.1	1.18	1.03	1.16
+2.2	1.32	1.05	1.13
+2.3	1.15	1.01	0.98
+2.4	1.42	0.9	1.08
+2.5	1.53	1.03	0.95
+2.6	1.63	0.85	1.06
+2.7	1.38	1.12	0.95
+2.8	1.44	1.0	0.85
+2.9	1.0	0.86	0.91
+3.0	1.06	0.98	0.96
+3.1	1.1	1.03	1.05
+3.2	1.11	0.98	1.19
+3.3	1.17	0.98	1.14
+3.4	1.12	0.98	1.09
+3.5	1.02	0.93	1.03
+3.6	1.05	0.93	1.22
+3.7	1.1	1.07	1.21
+3.8	0.93	1.16	1.1
+3.9	1.16	1.16	1.43
+4.0	1.09	0.92	1.33
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+4.2	1.2	0.99	1.11
+4.3	1.21	1.02	1.2
+4.4	1.13	1.02	1.03
+4.5	1.26	0.92	1.1
+4.6	1.1	0.96	1.04
+4.7	1.04	0.93	0.97
+4.8	0.96	0.99	1.24
+4.9	1.12	1.04	1.32
+5.0	1.15	1.1	1.36
+5.1	0.95	0.97	1.27
+5.2	0.89	1.01	1.37
+5.3	0.98	0.91	1.29
+5.4	0.97	0.93	1.22
+5.5	0.86	0.91	1.15
+5.6	0.87	1.02	1.39
+5.7	0.98	1.0	1.48
+5.8	1.05	0.94	1.23
+5.9	0.94	1.01	1.5
+6.0	1.05	0.89	1.39
+6.1	1.25	0.87	1.33
+6.2	1.17	1.0	1.12
+6.3	1.23	1.1	1.23
+6.4	1.3	1.11	1.13
+6.5	1.23	1.09	1.28
+6.6	1.15	0.84	1.3
+6.7	1.21	0.91	1.08
+6.8	1.21	0.89	1.37
+6.9	1.07	0.91	1.18
+7.0	0.99	0.88	1.34
+7.1	1.2	1.08	1.22
+7.2	1.08	1.03	1.33
+7.3	1.07	0.97	1.2
+7.4	1.18	0.96	1.24
+7.5	0.97	0.96	1.23
+7.6	0.82	1.08	1.23
+7.7	0.9	0.99	1.17
+7.8	0.97	1.15	1.16
+7.9	1.11	1.16	1.49
+8.0	1.12	1.41	1.55
+8.1	1.07	1.23	1.37
+8.2	1.0	1.18	1.24
+8.3	1.19	1.43	1.34
+8.4	1.1	1.16	1.36
+8.5	0.9	1.2	1.38
+8.6	0.93	1.13	1.32
+8.7	0.95	1.26	1.2
+8.8	1.02	1.36	1.18
+8.9	1.25	1.22	1.08
+9.0	1.06	1.34	1.17
+9.1	1.15	1.01	1.14
+9.2	1.13	1.18	1.41
+9.3	1.06	1.01	1.29
+9.4	1.07	1.0	1.21
+9.5	1.09	0.97	1.21
+9.6	0.98	1.18	1.18
+9.7	1.01	1.05	1.11
+9.8	1.01	1.11	0.99
+9.9	0.91	1.08	1.16
+10.0	1.08	1.06	1.23
+10.1	1.1	1.0	1.43
+10.2	1.29	1.1	1.28
+10.3	1.1	0.9	1.1
+10.4	1.32	0.86	1.07
+10.5	1.12	0.95	1.2
+10.6	1.13	1.04	1.21
+10.7	1.07	0.94	1.25
+10.8	1.15	1.04	1.27
+10.9	1.15	1.08	1.22
+11.0	1.09	0.95	1.27
+11.1	0.93	1.07	1.11
+11.2	0.96	0.99	1.07
+11.3	1.03	1.02	1.02
+11.4	1.2	0.94	1.08
+11.5	1.08	1.15	1.02
+11.6	1.02	1.1	1.33
+11.7	1.17	1.04	1.11
+11.8	1.2	1.05	1.15
+11.9	1.12	0.98	1.21
+12.0	1.21	0.93	1.15
+12.1	1.09	1.18	1.18
+12.2	1.12	1.23	1.18
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+12.7	1.12	1.09	1.15
+12.8	0.93	1.07	1.21
+12.9	1.3	0.98	1.08
+13.0	1.25	1.06	1.17
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+13.3	1.06	1.08	1.11
+13.4	1.11	1.19	1.19
+13.5	1.07	1.06	1.17
+13.6	1.28	0.97	1.1
+13.7	0.94	1.09	1.2
+13.8	1.07	1.06	1.37
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+14.0	1.11	1.15	1.16
+14.1	1.06	1.15	1.24
+14.2	1.04	1.13	1.22
+14.3	1.04	1.09	1.18
+14.4	0.97	1.08	1.23
+14.5	1.24	1.04	1.16
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+14.7	1.01	1.0	1.38
+14.8	0.97	1.17	1.34
+14.9	1.14	0.92	1.13
+15.0	1.21	0.97	1.15
+15.1	1.27	0.94	1.08
+15.2	1.09	1.01	1.19
+15.3	0.84	1.09	1.19
+15.4	1.12	1.01	1.11
+15.5	1.07	0.95	1.27
+15.6	1.09	0.98	1.15
+15.7	1.12	1.15	1.11
+15.8	1.1	1.16	1.14
+15.9	1.37	1.07	1.17
+16.0	1.11	1.12	1.07
+16.1	1.17	1.25	1.15
+16.2	1.25	1.14	1.25
+16.3	1.19	1.14	1.28
+16.4	1.31	1.25	1.28
+16.5	1.26	1.31	1.2
+16.6	1.16	1.12	1.26
+16.7	1.02	1.4	1.38
+16.8	1.25	1.16	1.16
+16.9	1.18	1.17	1.33
+17.0	1.09	0.97	1.2
+17.1	1.2	0.97	1.22
+17.2	1.18	1.07	1.21
+17.3	1.06	1.16	1.43
+17.4	1.22	1.32	1.14
+17.5	1.06	1.16	1.19
+17.6	0.95	1.04	1.12
+17.7	1.06	1.11	1.11
+17.8	1.18	1.15	1.19
+17.9	1.13	1.42	1.11
+18.0	0.98	1.1	1.18
+18.1	0.98	1.19	1.07
+18.2	1.18	1.12	1.0
+18.3	1.03	1.1	1.08
+18.4	1.03	1.13	1.21
+18.5	1.06	1.49	1.03
+18.6	1.07	1.28	1.18
+18.7	1.15	1.26	1.02
+18.8	1.06	1.28	1.02
+18.9	1.25	1.33	1.21
+19.0	1.17	1.31	1.19
+19.1	1.2	1.31	1.09
+19.2	1.25	1.47	1.27
+19.3	1.17	1.45	0.95
+19.4	1.11	1.44	1.23
+19.5	1.25	1.38	1.09
+19.6	1.29	1.25	1.18
+19.7	1.41	1.41	1.26
+19.8	1.29	1.17	1.17
+19.9	1.36	1.09	1.22
+20.0	1.25	1.15	1.15
+20.1	1.13	1.16	1.29
+20.2	1.07	1.31	1.12
+20.3	1.14	1.38	1.06
+20.4	1.12	1.41	1.07
+20.5	1.15	1.17	1.0
+20.6	1.09	1.48	1.15
+20.7	1.1	1.25	1.1
+20.8	1.14	1.35	1.09
+20.9	1.04	1.38	1.12
+21.0	1.1	1.21	1.2
+21.1	0.92	1.23	1.08
+21.2	1.0	1.35	1.14
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+21.4	1.02	1.16	1.01
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+21.7	1.08	1.13	1.19
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+22.0	1.17	1.19	1.21
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+22.4	1.25	1.26	1.21
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+22.9	1.2	1.13	1.18
+23.0	1.17	1.21	1.2
+23.1	1.3	1.11	1.23
+23.2	1.13	1.08	1.2
+23.3	1.23	1.07	1.29
+23.4	1.29	1.23	1.25
+23.5	1.23	0.99	1.23
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+23.7	1.15	1.07	1.17
+23.8	1.16	1.12	1.18
+23.9	1.23	1.18	1.15
+24.0	1.39	1.32	1.18
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+24.2	1.28	1.11	1.23
+24.3	1.3	1.08	0.98
+24.4	1.4	1.14	1.12
+24.5	1.27	1.14	1.25
+24.6	1.2	1.32	1.24
+24.7	1.21	1.09	1.28
+24.8	1.14	1.14	1.24
+24.9	1.4	1.17	1.23
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+25.3	1.46	1.2	1.24
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+25.9	1.53	1.05	1.38
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+26.5	1.55	1.18	1.31
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+26.7	1.45	1.31	1.21
+26.8	1.5	1.15	1.38
+26.9	1.55	1.22	1.63
+27.0	1.61	1.12	1.34
+27.1	1.72	1.11	1.28
+27.2	1.56	1.18	1.37
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+27.4	1.68	1.09	1.26
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+27.6	1.66	1.28	1.24
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+28.0	1.48	1.32	1.13
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+28.2	1.53	1.21	1.3
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+28.4	1.4	1.21	1.37
+28.5	1.34	1.17	1.29
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+28.7	1.71	1.18	1.21
+28.8	1.63	1.13	1.37
+28.9	1.81	1.23	1.27
+29.0	1.46	1.09	1.2
+29.1	1.68	1.25	1.26
+29.2	1.57	1.31	1.26
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+29.4	1.44	1.11	1.25
+29.5	1.41	1.17	1.49
+29.6	1.46	1.22	1.29
+29.7	1.66	1.11	1.34
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+29.9	1.53	1.1	1.31
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+30.3	1.43	1.15	1.43
+30.4	1.47	1.18	1.59
+30.5	1.55	1.17	1.13
+30.6	1.77	1.13	1.42
+30.7	1.9	1.11	1.4
+30.8	1.94	1.05	1.42
+30.9	1.66	1.11	1.17
+31.0	1.64	1.18	1.37
+31.1	1.64	1.13	1.23
+31.2	1.76	1.16	1.47
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+31.4	1.53	1.11	1.46
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+31.7	1.77	1.25	1.32
+31.8	1.79	1.04	1.39
+31.9	1.75	1.09	1.34
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+77.5	1.41	1.32	1.59
+77.6	1.48	1.43	1.52
+77.7	1.33	1.67	1.55
+77.8	1.37	1.76	1.69
+77.9	1.7	1.49	1.42
+78.0	1.52	1.58	1.58
+78.1	1.47	1.44	1.37
+78.2	1.69	1.52	1.62
+78.3	1.85	1.65	1.57
+78.4	1.49	1.52	1.65
+78.5	1.5	1.46	1.53
+78.6	1.53	1.49	1.78
+78.7	1.45	1.48	1.51
+78.8	1.48	1.32	1.48
+78.9	1.56	1.45	1.57
+79.0	1.48	1.39	1.53
+79.1	1.53	1.32	1.61
+79.2	1.66	1.24	1.59
+79.3	1.51	1.33	1.48
+79.4	1.42	1.31	1.5
+79.5	1.45	1.35	1.51
+79.6	1.51	1.26	1.48
+79.7	1.5	1.36	1.5
+79.8	1.5	1.38	1.58
+79.9	1.5	1.37	1.48
+80.0	1.46	1.23	1.45
+80.1	1.6	1.41	1.62
+80.2	1.68	1.23	1.5
+80.3	1.53	1.53	1.47
+80.4	1.49	1.42	1.42
+80.5	1.6	1.53	1.61
+80.6	1.36	1.32	1.38
+80.7	1.55	1.52	1.55
+80.8	1.36	1.51	1.63
+80.9	1.28	1.24	1.57
+81.0	1.4	1.37	1.54
+81.1	1.37	1.22	1.55
+81.2	1.45	1.19	1.45
+81.3	1.47	1.21	1.55
+81.4	1.33	1.19	1.49
+81.5	1.71	1.12	1.45
+81.6	1.54	1.23	1.54
+81.7	1.57	1.09	1.47
+81.8	1.61	1.18	1.6
+81.9	1.39	1.09	1.47
+82.0	1.59	1.1	1.69
+82.1	1.39	1.1	1.46
+82.2	1.35	1.13	1.61
+82.3	1.41	1.25	1.4
+82.4	1.38	1.13	1.52
+82.5	1.45	1.14	1.6
+82.6	1.49	1.25	1.53
+82.7	1.57	1.26	1.43
+82.8	1.55	1.26	1.44
+82.9	1.52	1.31	1.57
+83.0	1.62	1.28	1.34
+83.1	1.42	1.24	1.6
+83.2	1.43	1.17	1.64
+83.3	1.57	1.28	1.38
+83.4	1.66	1.32	1.44
+83.5	1.78	1.25	1.5
+83.6	1.81	1.28	1.58
+83.7	1.72	1.45	1.4
+83.8	1.85	1.21	1.56
+83.9	1.68	1.18	1.6
+84.0	1.7	1.1	1.55
+84.1	2.0	1.07	1.65
+84.2	1.61	1.34	1.48
+84.3	1.53	1.15	1.53
+84.4	1.63	1.14	1.4
+84.5	1.66	1.18	1.48
+84.6	1.58	1.17	1.48
+84.7	1.39	1.24	1.56
+84.8	1.56	1.1	1.33
+84.9	1.58	1.33	1.53
+85.0	1.55	1.12	1.42
+85.1	1.66	1.18	1.43
+85.2	1.77	1.23	1.48
+85.3	1.54	1.2	1.39
+85.4	1.6	1.4	1.57
+85.5	1.59	1.24	1.65
+85.6	1.73	1.32	1.51
+85.7	1.66	1.25	1.55
+85.8	1.76	1.27	1.63
+85.9	1.75	1.29	1.62
+86.0	1.75	1.17	1.74
+86.1	1.76	1.43	1.68
+86.2	1.66	1.38	1.47
+86.3	1.83	1.23	1.48
+86.4	1.73	1.31	1.44
+86.5	1.68	1.19	1.32
+86.6	1.61	1.35	1.39
+86.7	1.7	1.5	1.55
+86.8	1.55	1.18	1.48
+86.9	1.6	1.27	1.49
+87.0	1.58	1.23	1.54
+87.1	1.57	1.22	1.4
+87.2	1.49	1.4	1.35
+87.3	1.57	1.37	1.23
+87.4	1.6	1.54	1.33
+87.5	1.65	1.22	1.37
+87.6	1.72	1.37	1.6
+87.7	1.48	1.42	1.46
+87.8	1.49	1.5	1.56
+87.9	1.5	1.35	1.79
+88.0	1.62	1.32	1.53
+88.1	1.57	1.25	1.43
+88.2	1.69	1.31	1.53
+88.3	1.68	1.4	1.48
+88.4	1.5	1.29	1.38
+88.5	1.47	1.4	1.49
+88.6	1.65	1.27	1.59
+88.7	1.51	1.34	1.57
+88.8	1.44	1.24	1.51
+88.9	1.55	1.58	1.52
+89.0	1.76	1.32	1.51
+89.1	1.44	1.35	1.4
+89.2	1.6	1.44	1.39
+89.3	1.44	1.45	1.57
+89.4	1.55	1.37	1.73
+89.5	1.54	1.33	1.59
+89.6	1.64	1.52	1.6
+89.7	1.66	1.45	1.66
+89.8	1.66	1.26	1.42
+89.9	1.77	1.23	1.45
+90.0	1.48	1.41	1.41
+90.1	1.52	1.56	1.47
+90.2	1.72	1.36	1.64
+90.3	1.58	1.35	1.57
+90.4	1.6	1.38	1.43
+90.5	1.46	1.36	1.68
+90.6	1.58	1.35	1.61
+90.7	1.53	1.31	1.5
+90.8	1.54	1.51	1.65
+90.9	1.33	1.41	1.49
+91.0	1.46	1.49	1.64
+91.1	1.49	1.53	1.4
+91.2	1.68	1.58	1.3
+91.3	1.59	1.55	1.34
+91.4	1.65	1.51	1.53
+91.5	1.51	1.38	1.39
+91.6	1.65	1.42	1.42
+91.7	1.59	1.46	1.56
+91.8	1.52	1.58	1.71
+91.9	1.69	1.37	1.29
+92.0	1.61	1.27	1.38
+92.1	1.48	1.43	1.49
+92.2	1.47	1.39	1.27
+92.3	1.5	1.2	1.32
+92.4	1.6	1.37	1.37
+92.5	1.45	1.39	1.43
+92.6	1.58	1.47	1.39
+92.7	1.6	1.21	1.35
+92.8	1.44	1.29	1.36
+92.9	1.43	1.41	1.38
+93.0	1.4	1.58	1.41
+93.1	1.47	1.42	1.33
+93.2	1.48	1.63	1.39
+93.3	1.63	1.48	1.39
+93.4	1.33	1.48	1.29
+93.5	1.37	1.44	1.54
+93.6	1.49	1.65	1.36
+93.7	1.47	1.38	1.4
+93.8	1.49	1.34	1.3
+93.9	1.33	1.24	1.38
+94.0	1.31	1.37	1.38
+94.1	1.16	1.23	1.45
+94.2	1.24	1.45	1.56
+94.3	1.29	1.31	1.53
+94.4	1.32	1.28	1.62
+94.5	1.32	1.3	1.55
+94.6	1.26	1.37	1.62
+94.7	1.35	1.28	1.55
+94.8	1.47	1.35	1.56
+94.9	1.66	1.4	1.56
+95.0	1.61	1.43	1.42
+95.1	1.57	1.31	1.36
+95.2	1.59	1.48	1.45
+95.3	1.5	1.28	1.39
+95.4	1.54	1.22	1.35
+95.5	1.41	1.25	1.58
+95.6	1.5	1.37	1.5
+95.7	1.49	1.36	1.6
+95.8	1.51	1.29	1.33
+95.9	1.27	1.34	1.55
+96.0	1.42	1.41	1.48
+96.1	1.38	1.28	1.45
+96.2	1.51	1.22	1.32
+96.3	1.35	1.34	1.31
+96.4	1.3	1.22	1.34
+96.5	1.44	1.3	1.32
+96.6	1.31	1.34	1.5
+96.7	1.37	1.27	1.24
+96.8	1.44	1.34	1.32
+96.9	1.43	1.33	1.34
+97.0	1.46	1.36	1.3
+97.1	1.49	1.32	1.39
+97.2	1.33	1.44	1.46
+97.3	1.39	1.37	1.64
+97.4	1.29	1.51	1.41
+97.5	1.41	1.4	1.46
+97.6	1.35	1.25	1.4
+97.7	1.39	1.3	1.31
+97.8	1.54	1.41	1.37
+97.9	1.44	1.39	1.34
+98.0	1.35	1.47	1.39
+98.1	1.37	1.33	1.46
+98.2	1.47	1.58	1.46
+98.3	1.32	1.25	1.31
+98.4	1.2	1.59	1.24
+98.5	1.29	1.35	1.32
+98.6	1.3	1.36	1.57
+98.7	1.38	1.28	1.46
+98.8	1.45	1.35	1.39
+98.9	1.6	1.28	1.41
+99.0	1.46	1.34	1.45
+99.1	1.56	1.33	1.39
+99.2	1.67	1.43	1.44
+99.3	1.58	1.38	1.45
+99.4	1.54	1.37	1.24
+99.5	1.39	1.49	1.21
+99.6	1.64	1.48	1.42
+99.7	1.85	1.3	1.44
+99.8	1.81	1.38	1.56
+99.9	1.64	1.49	1.37
+100.0	1.72	1.43	1.34

atlas_1000_analysis/1ix9_A/1ix9_A_RMSF.tsv ADDED Viewed

	@@ -0,0 +1,206 @@

+seq	RMSF_R1	RMSF_R2	RMSF_R3
+S	1.11	1.09	1.1
+Y	0.77	0.72	0.73
+T	0.96	0.87	0.88
+L	0.86	0.86	0.81
+P	1.14	1.78	1.04
+S	1.61	2.22	1.41
+L	1.81	1.97	1.06
+P	1.56	2.85	1.19
+Y	1.4	2.09	1.05
+A	1.34	1.33	0.96
+Y	1.18	1.04	0.86
+D	1.4	1.11	0.93
+A	1.28	1.08	0.92
+L	0.78	0.72	0.74
+E	0.93	0.7	0.76
+P	1.0	0.76	0.8
+H	0.83	0.66	0.7
+F	0.93	0.75	0.77
+D	1.05	0.9	0.91
+K	0.93	0.87	0.86
+Q	1.03	0.93	0.94
+T	1.04	0.87	0.9
+M	0.82	0.74	0.77
+E	0.77	0.76	0.78
+I	0.88	0.89	0.85
+H	0.9	0.85	0.84
+H	0.81	0.77	0.82
+T	0.9	0.87	0.97
+K	0.85	0.88	0.9
+H	0.83	0.84	0.81
+H	0.64	0.63	0.6
+Q	0.66	0.66	0.67
+T	0.7	0.7	0.72
+Y	0.59	0.6	0.58
+V	0.57	0.59	0.57
+N	0.68	0.68	0.7
+N	0.67	0.66	0.71
+A	0.62	0.6	0.64
+N	0.72	0.66	0.71
+A	0.86	0.76	0.86
+A	0.85	0.75	0.87
+L	0.95	0.76	0.94
+E	1.21	1.0	1.15
+S	1.44	1.24	1.28
+L	1.16	1.06	1.06
+P	1.62	1.45	1.55
+E	1.55	1.45	1.45
+F	1.05	0.96	1.04
+A	1.23	1.14	1.26
+N	1.18	1.11	1.15
+L	0.92	0.88	0.87
+P	0.81	0.8	0.77
+V	0.61	0.6	0.61
+E	0.73	0.71	0.73
+E	0.79	0.79	0.78
+L	0.62	0.64	0.61
+I	0.59	0.6	0.58
+T	0.98	0.89	0.9
+K	1.07	1.13	0.98
+L	1.05	1.01	0.97
+D	1.27	1.29	1.18
+Q	1.36	1.39	1.41
+L	1.17	1.13	1.16
+P	1.41	1.34	1.37
+A	1.53	1.4	1.56
+D	1.44	1.41	1.43
+K	1.02	1.0	0.93
+K	0.87	0.82	0.82
+T	0.83	0.82	0.85
+V	0.77	0.79	0.8
+L	0.66	0.66	0.63
+R	0.65	0.66	0.62
+N	0.57	0.58	0.58
+N	0.53	0.5	0.53
+A	0.49	0.48	0.49
+G	0.51	0.5	0.49
+G	0.54	0.51	0.51
+H	0.46	0.45	0.44
+A	0.46	0.45	0.44
+N	0.48	0.45	0.46
+H	0.5	0.47	0.49
+S	0.52	0.53	0.51
+L	0.54	0.56	0.52
+F	0.53	0.54	0.52
+W	0.64	0.57	0.56
+K	0.75	0.83	0.67
+G	0.67	0.78	0.64
+L	0.66	0.69	0.63
+K	0.63	0.68	0.65
+K	0.79	0.81	0.8
+G	0.89	1.02	0.96
+T	0.69	0.66	0.68
+T	0.81	0.77	0.77
+L	0.71	0.66	0.66
+Q	0.93	0.76	0.78
+G	0.96	0.86	0.85
+D	0.81	0.74	0.74
+L	0.66	0.61	0.61
+K	0.65	0.6	0.61
+A	0.68	0.63	0.65
+A	0.62	0.57	0.59
+I	0.54	0.51	0.52
+E	0.64	0.61	0.63
+R	0.66	0.65	0.68
+D	0.59	0.6	0.62
+F	0.58	0.6	0.6
+G	0.72	0.73	0.74
+S	0.67	0.68	0.68
+V	0.61	0.61	0.61
+D	0.69	0.68	0.68
+N	0.63	0.64	0.64
+F	0.49	0.5	0.51
+K	0.51	0.52	0.5
+A	0.56	0.58	0.56
+E	0.5	0.54	0.56
+F	0.44	0.5	0.51
+E	0.52	0.56	0.53
+K	0.56	0.61	0.58
+A	0.54	0.59	0.59
+A	0.58	0.61	0.65
+A	0.76	0.74	0.77
+S	0.82	0.8	0.8
+R	0.72	0.8	0.82
+F	0.99	1.07	1.19
+G	0.84	1.01	1.1
+S	0.8	0.84	0.9
+G	0.58	0.54	0.61
+W	0.48	0.44	0.5
+A	0.45	0.44	0.46
+W	0.42	0.41	0.44
+L	0.38	0.39	0.4
+V	0.45	0.47	0.49
+L	0.52	0.54	0.54
+K	0.83	0.8	0.81
+G	1.14	1.35	1.16
+D	1.12	1.14	1.12
+K	0.75	0.79	0.74
+L	0.5	0.55	0.52
+A	0.48	0.53	0.52
+V	0.44	0.43	0.45
+V	0.48	0.5	0.52
+S	0.48	0.46	0.52
+T	0.52	0.51	0.58
+A	0.58	0.57	0.63
+N	0.61	0.57	0.64
+Q	0.52	0.5	0.54
+D	0.52	0.5	0.56
+S	0.54	0.64	0.75
+P	0.57	0.64	0.67
+L	0.6	0.69	0.66
+M	0.65	0.67	0.68
+G	0.83	1.18	1.26
+E	0.98	1.23	1.61
+A	1.15	1.49	2.26
+I	0.89	1.09	1.39
+S	0.8	1.05	2.32
+G	0.91	1.17	1.8
+A	0.78	1.03	1.36
+S	0.76	1.0	1.04
+G	0.67	0.82	0.8
+F	0.57	0.59	0.57
+P	0.5	0.51	0.51
+I	0.48	0.49	0.5
+M	0.48	0.52	0.52
+G	0.56	0.6	0.62
+L	0.52	0.57	0.63
+D	0.56	0.69	0.71
+V	0.56	0.71	0.73
+W	0.63	1.27	1.18
+E	0.85	1.36	1.43
+H	1.07	1.53	1.71
+A	1.27	1.5	1.68
+Y	1.05	1.32	1.46
+F	1.04	1.4	1.51
+L	1.45	1.73	1.89
+K	1.28	1.5	1.61
+F	1.16	1.36	1.45
+Q	1.45	1.43	1.47
+N	1.24	1.3	1.27
+R	1.03	1.11	1.13
+R	0.84	0.87	0.98
+P	0.83	0.74	0.83
+D	0.81	0.71	0.71
+Y	0.65	0.58	0.6
+I	0.59	0.53	0.59
+K	0.66	0.6	0.62
+E	0.64	0.58	0.57
+F	0.57	0.56	0.53
+W	0.56	0.58	0.56
+N	0.61	0.59	0.59
+V	0.57	0.54	0.54
+V	0.58	0.58	0.52
+N	0.54	0.52	0.51
+W	0.53	0.47	0.48
+D	0.66	0.61	0.6
+E	0.64	0.62	0.57
+A	0.54	0.51	0.48
+A	0.62	0.56	0.54
+A	0.74	0.65	0.62
+R	0.67	0.59	0.57
+F	0.64	0.58	0.57
+A	0.9	0.77	0.76
+A	1.08	0.92	0.9
+K	2.68	0.99	1.03
+K	5.34	1.8	2.05

atlas_1000_analysis/1ix9_A/1ix9_A_contacts.tsv ADDED Viewed

	@@ -0,0 +1,206 @@

+seq	nb_chain	nb_ligand	nb_ion	nb_nucleotide	name_chain	name_ligand	name_ion	name_nucleotide
+S	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+T	1	0	0	0	B:PHE,174	-	-	-
+M	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+I	1	0	0	0	B:GLN,178	-	-	-
+H	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+K	1	0	0	0	B:ASN,179	-	-	-
+H	1	0	0	0	B:ASN,179	-	-	-
+H	0	0	0	0	-	-	-	-
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+N	1	0	0	0	B:PHE,124	-	-	-
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+E	0	0	0	0	-	-	-	-
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+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
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+R	0	0	0	0	-	-	-	-
+F	3	0	0	0	B:ASN,73;B:ASN,145;B:TRP,169	-	-	-
+G	3	0	0	0	B:SER,126;B:ASN,145;B:TRP,169	-	-	-
+S	3	0	0	0	B:GLY,125;B:SER,126;B:ASN,145	-	-	-
+G	0	0	0	0	-	-	-	-
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+A	0	0	0	0	-	-	-	-
+N	2	0	0	0	B:PHE,124;B:GLY,125	-	-	-
+Q	1	0	0	0	B:PHE,124	-	-	-
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+I	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+D	0	0	1	0	-	-	A:MN,206	-
+V	0	0	0	0	-	-	-	-
+W	1	0	1	0	B:GLU,170	-	A:MN,206	-
+E	1	0	0	0	B:GLU,170	-	-	-
+H	2	0	0	0	B:GLU,170;B:PHE,174	-	-	-
+A	0	0	1	0	-	-	A:MN,206	-
+Y	0	0	0	0	-	-	-	-
+F	1	0	0	0	B:PHE,174	-	-	-
+L	2	0	0	0	B:PHE,174;B:LEU,175	-	-	-
+K	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+Q	2	0	0	0	B:ILE,25;B:HIS,30	-	-	-
+N	2	0	0	0	B:LYS,29;B:HIS,30	-	-	-
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+K	0	0	0	0	-	-	-	-

atlas_1000_analysis/1ix9_A/1ix9_A_corresp.tsv ADDED Viewed

	@@ -0,0 +1,206 @@

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

atlas_1000_analysis/1ix9_A/1ix9_A_gyrate.tsv ADDED Viewed

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

+time	gyr_R1	gyr_R2	gyr_R3
+0.1	16.92	16.88	16.99
+0.2	16.93	16.92	16.93
+0.3	16.95	16.91	16.88
+0.4	16.89	16.87	16.89
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+0.7	16.94	16.86	16.84
+0.8	16.88	16.88	16.77
+0.9	16.89	16.89	16.7
+1.0	16.92	16.89	16.89
+1.1	16.94	17.1	16.9
+1.2	16.92	16.9	16.86
+1.3	16.95	16.83	16.86
+1.4	16.96	16.96	16.99
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+1.6	16.92	16.96	16.98
+1.7	16.87	16.92	16.86
+1.8	16.99	17.01	16.94
+1.9	17.01	17.13	16.93
+2.0	17.02	17.0	16.91
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+2.2	17.08	17.0	17.0
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+3.1	16.94	16.95	16.84
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+3.6	16.97	16.81	17.14
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+89.6	16.82	17.11	17.22
+89.7	16.83	17.12	17.2
+89.8	16.83	17.0	17.07
+89.9	16.83	16.97	17.02
+90.0	16.96	17.07	17.14
+90.1	16.89	17.02	17.2
+90.2	16.9	16.85	17.16
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+95.0	16.85	17.09	17.13
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+95.5	17.0	17.08	17.07
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+95.7	16.94	17.11	17.11
+95.8	17.04	16.98	17.04
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+96.0	17.07	17.09	17.2
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+96.4	16.9	17.02	17.07
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+99.9	16.95	17.03	17.1
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atlas_1000_analysis/1ix9_A/1ix9_A_pLDDT.tsv ADDED Viewed

	@@ -0,0 +1,206 @@

+seq	pLDDT
+S	93.54
+Y	98.6
+T	98.58
+L	98.74
+P	98.48
+S	98.63
+L	98.48
+P	98.33
+Y	98.71
+A	98.77
+Y	98.85
+D	98.72
+A	98.83
+L	98.81
+E	98.7
+P	98.68
+H	98.81
+F	98.81
+D	98.82
+K	98.79
+Q	98.82
+T	98.83
+M	98.85
+E	98.87
+I	98.83
+H	98.87
+H	98.89
+T	98.8
+K	98.74
+H	98.75
+H	98.86
+Q	98.81
+T	98.85
+Y	98.86
+V	98.86
+N	98.81
+N	98.82
+A	98.78
+N	98.77
+A	98.71
+A	98.47
+L	98.56
+E	98.08
+S	97.4
+L	97.77
+P	95.74
+E	95.23
+F	97.76
+A	96.41
+N	94.7
+L	98.2
+P	98.45
+V	98.78
+E	98.06
+E	98.58
+L	98.79
+I	98.79
+T	98.74
+K	98.68
+L	98.59
+D	97.86
+Q	98.32
+L	98.15
+P	98.31
+A	97.87
+D	97.87
+K	98.34
+K	98.36
+T	98.73
+V	98.75
+L	98.82
+R	98.87
+N	98.85
+N	98.91
+A	98.91
+G	98.91
+G	98.89
+H	98.93
+A	98.93
+N	98.93
+H	98.94
+S	98.91
+L	98.88
+F	98.94
+W	98.92
+K	98.84
+G	98.85
+L	98.93
+K	98.85
+K	98.83
+G	98.42
+T	98.74
+T	98.67
+L	98.79
+Q	98.56
+G	98.6
+D	98.72
+L	98.86
+K	98.87
+A	98.85
+A	98.86
+I	98.89
+E	98.88
+R	98.79
+D	98.85
+F	98.85
+G	98.82
+S	98.84
+V	98.79
+D	98.81
+N	98.88
+F	98.89
+K	98.91
+A	98.89
+E	98.91
+F	98.95
+E	98.91
+K	98.89
+A	98.86
+A	98.82
+A	98.62
+S	98.41
+R	98.75
+F	97.68
+G	98.19
+S	98.73
+G	98.81
+W	98.95
+A	98.96
+W	98.97
+L	98.95
+V	98.95
+L	98.89
+K	98.41
+G	96.3
+D	96.83
+K	98.62
+L	98.92
+A	98.92
+V	98.95
+V	98.91
+S	98.9
+T	98.95
+A	98.86
+N	98.79
+Q	98.9
+D	98.91
+S	98.93
+P	98.89
+L	98.86
+M	98.86
+G	98.69
+E	98.57
+A	98.56
+I	98.57
+S	98.7
+G	98.6
+A	98.68
+S	98.72
+G	98.66
+F	98.87
+P	98.87
+I	98.89
+M	98.85
+G	98.83
+L	98.95
+D	98.92
+V	98.83
+W	98.75
+E	98.73
+H	98.6
+A	98.71
+Y	98.71
+F	98.64
+L	98.59
+K	98.64
+F	98.7
+Q	98.55
+N	97.38
+R	98.66
+R	98.7
+P	98.72
+D	98.83
+Y	98.9
+I	98.89
+K	98.85
+E	98.88
+F	98.92
+W	98.86
+N	98.84
+V	98.88
+V	98.87
+N	98.89
+W	98.89
+D	98.86
+E	98.89
+A	98.87
+A	98.87
+A	98.85
+R	98.78
+F	98.81
+A	98.5
+A	98.31
+K	97.22
+K	84.1

atlas_1000_analysis/1ix9_A/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

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