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

Download models Download C^α trajectory

Status: Done started: 2018-Feb-16 02:53:26 UTC

Project Name	TEMP_B
Sequence	KKVVLGKKGD TVELTCTASQ KKSIQFHWKN SNQIKILGNQ GSFLTKGPSK LNDRADSRRS LWDQGNFPLI IKNLKIEDSD TYICEVEDQK EEVQLLVFGL TANSDTHLLQ GQSLTLTLES PPGSSPSVQC RSPRGKNIQG GKTLSVSQLE LQDSGTWTCT VLQNQKKVEF KIDIVVLAFQ KASSIVYKKE GEQVEFSFPL AFTVEKLTGS GELWWQAERA SSSKSWITFD LKNKEVSVKR VTQDPKLQMG KKLPLHLTLP QALPQYAGSG NLTLALEAKT GKLHQEVNLV VMRATQLQKN LTCEVWGPTS PKLMLSLKLE NKEAKVSKRE KAVWVLNPEA GMWQCLLSDS GQVLLESNIK VLPTWSTPVQ PMALIVLGGV AGLLLFIGLG IFFCVRCRHR
Secondary structure	CCCEEEECCC CEEECCCCCC CCCCCEEEEE CCCEEEEEEE CCEEEECCCC CCCCEECCCC CCCCCCCCEE ECCCCCCCCE EEEEEECCCC CEEEEEEEEE ECCCCCCCCC CCCEEEEEEC CCCCCCCCCE ECCCCCEECC CCEEEECCCC CCCCCEEEEE EEECCEEEEE EEECCCCCCC CCCCEEEECC CCCCCEECCC CCCCCCCCCE EEEECCCCCC CCCCCCCEEC CCCCCCCCCC CCCCCCCCCC CCCCCEECCC CCCCCCCCCC EEEEECCCCC CCCCCCCEEE EEECCCCCCC CCEEECCCCC CCCCEEECCC CCCCCEEECC CEECCCCCCC CCCCEECCCC CCCCCCCCCC CCCCCCCCCC CCHHHHHHHH HHHHHHHHHH HHHHHHCCCC
Movie from predicted structures	To download the movie, right click on the desired file format:
Estimated finish time	2018-Feb-16 07:05 UTC

Project Name	TEMP_B

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]

Project Name	TEMP_B

Clustering data

Cluster #	1	2	3	4	5	6	7	8	9	10	11
Cluster density	144.1	143.6	139.0	137.8	128.2	127.6	121.2	117.3	105.8	91.3	82.1
Cluster size	216	238	210	233	194	177	168	168	145	128	123
Average cluster RMSD	1.5	1.7	1.5	1.7	1.5	1.4	1.4	1.4	1.4	1.4	1.5

Read about clustering method.

C^α RMSD & GDT_TS to the input structure

#	1	2	3	4	5	6	7	8	9	10	11
RMSD	5.46	5.25	8.88	5.28	7.42	6.14	11.20	7.12	7.62	4.95	3.70
GDT_TS	0.48	0.48	0.43	0.51	0.46	0.48	0.42	0.46	0.49	0.50	0.55

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
1	0.00	3.21	6.71	3.11	6.47	5.20	11.20	4.02	7.58	3.32	4.08
2	3.21	0.00	6.36	3.36	7.29	5.08	12.10	4.23	7.67	3.85	4.03
3	6.71	6.36	0.00	5.90	8.21	4.98	12.70	4.80	7.83	7.13	8.23
4	3.11	3.36	5.90	0.00	6.85	3.96	11.50	3.82	7.04	3.25	4.37
5	6.47	7.29	8.21	6.85	0.00	6.56	7.44	7.73	4.99	7.52	6.91
6	5.20	5.08	4.98	3.96	6.56	0.00	10.60	4.84	5.56	5.36	5.57
7	11.20	12.10	12.70	11.50	7.44	10.60	0.00	11.80	8.63	11.50	10.70
8	4.02	4.23	4.80	3.82	7.73	4.84	11.80	0.00	8.43	4.54	5.90
9	7.58	7.67	7.83	7.04	4.99	5.56	8.63	8.43	0.00	8.45	7.52
10	3.32	3.85	7.13	3.25	7.52	5.36	11.50	4.54	8.45	0.00	4.08
11	4.08	4.03	8.23	4.37	6.91	5.57	10.70	5.90	7.52	4.08	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
1	1.00	0.61	0.55	0.63	0.61	0.58	0.52	0.60	0.62	0.66	0.55
2	0.61	1.00	0.52	0.60	0.54	0.54	0.49	0.58	0.54	0.58	0.58
3	0.55	0.52	1.00	0.54	0.55	0.59	0.64	0.60	0.51	0.55	0.48
4	0.63	0.60	0.54	1.00	0.58	0.60	0.53	0.59	0.56	0.67	0.52
5	0.61	0.54	0.55	0.58	1.00	0.61	0.55	0.57	0.61	0.58	0.52
6	0.58	0.54	0.59	0.60	0.61	1.00	0.56	0.58	0.57	0.59	0.56
7	0.52	0.49	0.64	0.53	0.55	0.56	1.00	0.61	0.49	0.55	0.46
8	0.60	0.58	0.60	0.59	0.57	0.58	0.61	1.00	0.56	0.59	0.50
9	0.62	0.54	0.51	0.56	0.61	0.57	0.49	0.56	1.00	0.55	0.53
10	0.66	0.58	0.55	0.67	0.58	0.59	0.55	0.59	0.55	1.00	0.53
11	0.55	0.58	0.48	0.52	0.52	0.56	0.46	0.50	0.53	0.53	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