CABS-flex: server for fast simulation of protein structure fluctuations

Download models Download C^α trajectory

Status: Done started: 2018-Apr-16 13:18:25 UTC

Project Name	v3CYS1
Sequence	MRLKKRIFAA VSEGCVEELR ELLQDLQDLC RRRRGLDVPD FLMHKLTASD TGKTCLMKAL LNINPNTKEI VRILLAFAEE NDILDRFINA EYTEEAYEGQ TALNIAIERR QGDITAVLIA AGADVNAHAK GVFFNCKYQH CGFYFGETPL ALAACTNQPE IVQLLMENEQ TDITSQDSRG NNILHALVTV AEDFKTQNDF VKRMYDMILL RSGNWELETM RNNDGLTPLQ LAAKMGKAEI LKYILSREI
Secondary structure	CCHHHHHHHH HHHCCHHHHH HHHHHHHHHC CCCCCCCHHH HHHHHCCCCC CCCCHHHHHH HCCCCCHHHH HHHHHHHHHH CCCHHHHHCC CCCCCCCCCC CHHHHHHHCC CHHHHHHHHH CCCCCCCCCC CCCCCCCCCC CCCCCCCCHH HHHHHCCCHH HHHHHHCCCC CCCCCCCCCC CCHHHHHHHH CCCCCCCCCH HHHHHHHHHH HHCCCCCCCC CCCCCCCHHH HHHHCCCHHH HHHHHHCCC
Movie from predicted structures	To download the movie, right click on the desired file format:
Estimated finish time	2018-Apr-16 18:10 UTC

Project Name	v3CYS1

Multimodel

Multimodel [PDB] Multimodel with superimposed input structure [PDB] Fluctuation data [TXT] Fluctuation plot [EPS]

Model 001

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 002

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 003

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 004

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 005

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 006

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 007

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 008

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 009

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 010

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 011

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 012

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Project Name	v3CYS1

Clustering data

Cluster #	1	2	3	4	5	6	7	8	9	10	11	12
Cluster density	204.9	195.9	183.5	168.0	124.9	118.3	116.7	91.0	90.6	90.6	79.9	72.5
Cluster size	272	280	234	223	158	156	141	125	106	112	98	95
Average cluster RMSD	1.3	1.4	1.3	1.3	1.3	1.3	1.2	1.4	1.2	1.2	1.2	1.3

Read about clustering method.

C^α RMSD & GDT_TS to the input structure

#	1	2	3	4	5	6	7	8	9	10	11	12
RMSD	2.88	2.92	2.94	2.84	2.51	2.83	2.76	2.82	3.13	2.68	2.82	2.52
GDT_TS	0.66	0.65	0.65	0.65	0.70	0.69	0.68	0.64	0.65	0.66	0.66	0.71

The table contains RMSD and GDT_TS values (calculated on the Cα atoms) between the predicted models and the input structure. Note that GDT_TS metric is intended as a more accurate measurement than the more common RMSD.
Read more about the root-mean-square deviation (RMSD) measure
Read more about the global distance test (GDT, also written as GDT_TS to represent "total score") measure.

C^α RMSD between predicted models

#	1	2	3	4	5	6	7	8	9	10	11	12
1	0.00	2.41	2.50	2.35	2.60	2.08	2.00	2.65	2.51	2.54	2.31	2.51
2	2.41	0.00	2.40	2.60	2.67	2.86	2.38	2.82	2.81	1.88	2.76	2.54
3	2.50	2.40	0.00	2.94	2.85	2.63	2.81	2.28	2.33	2.39	3.06	2.65
4	2.35	2.60	2.94	0.00	2.34	2.63	1.72	2.71	2.93	2.47	1.99	2.24
5	2.60	2.67	2.85	2.34	0.00	2.70	2.40	2.85	3.08	2.33	2.44	2.13
6	2.08	2.86	2.63	2.63	2.70	0.00	2.49	2.64	2.55	2.86	2.71	2.40
7	2.00	2.38	2.81	1.72	2.40	2.49	0.00	2.71	2.85	2.38	2.07	2.38
8	2.65	2.82	2.28	2.71	2.85	2.64	2.71	0.00	2.37	2.82	2.75	2.50
9	2.51	2.81	2.33	2.93	3.08	2.55	2.85	2.37	0.00	2.82	3.04	2.83
10	2.54	1.88	2.39	2.47	2.33	2.86	2.38	2.82	2.82	0.00	2.67	2.37
11	2.31	2.76	3.06	1.99	2.44	2.71	2.07	2.75	3.04	2.67	0.00	2.49
12	2.51	2.54	2.65	2.24	2.13	2.40	2.38	2.50	2.83	2.37	2.49	0.00

The table contains RMSD values (calculated on the Cα atoms) between the predicted models.
Read more about the root-mean-square deviation (RMSD) measure.

C^α GDT_TS between predicted models

#	1	2	3	4	5	6	7	8	9	10	11	12
1	1.00	0.69	0.68	0.72	0.66	0.73	0.74	0.68	0.70	0.67	0.72	0.68
2	0.69	1.00	0.69	0.67	0.66	0.63	0.70	0.63	0.64	0.75	0.65	0.67
3	0.68	0.69	1.00	0.62	0.63	0.70	0.64	0.72	0.69	0.67	0.61	0.67
4	0.72	0.67	0.62	1.00	0.70	0.67	0.79	0.65	0.61	0.71	0.78	0.71
5	0.66	0.66	0.63	0.70	1.00	0.65	0.69	0.62	0.60	0.72	0.67	0.71
6	0.73	0.63	0.70	0.67	0.65	1.00	0.68	0.70	0.68	0.65	0.65	0.68
7	0.74	0.70	0.64	0.79	0.69	0.68	1.00	0.65	0.63	0.70	0.77	0.70
8	0.68	0.63	0.72	0.65	0.62	0.70	0.65	1.00	0.72	0.63	0.64	0.67
9	0.70	0.64	0.69	0.61	0.60	0.68	0.63	0.72	1.00	0.64	0.61	0.63
10	0.67	0.75	0.67	0.71	0.72	0.65	0.70	0.63	0.64	1.00	0.69	0.70
11	0.72	0.65	0.61	0.78	0.67	0.65	0.77	0.64	0.61	0.69	1.00	0.69
12	0.68	0.67	0.67	0.71	0.71	0.68	0.70	0.67	0.63	0.70	0.69	1.00

The table contains GDT_TS values (calculated on the Cα atoms) between the predicted models.
Read more about the global distance test (GDT, also written as GDT_TS to represent "total score") measure.

© Laboratory of Theory of Biopolymers, Faculty of Chemistry, University of Warsaw 2013