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

Download models Download C^α trajectory

Status: Done started: 2018-Jan-11 05:48:16 UTC

Project Name	madhan
Sequence	MAMVKRINNL PTVKLAKQAL PLLANPKLVN KAIDVVPLVV QGGRKLSKAA KRLLGAYGGN ISYTEGAKPG AISAPVAISR RVAGMKPRFV RSEGSVKIVH REFIASVLPS SDLTVNNGDV NIGKYRVNPS NNALFTWLQG QAQLYDMYRF TRLRITYIPT TGSTSTGRVS LLWDRDSQDP LPIDRAAISS YAHSADSAPW AENVLVVPCD NTWRYMNDTN AVDRKLVDFG QFLFATYSGA GSTAHGDLYV EYAVEFKDPQ PIAGMVCMFD RLVSLSEVGS TIKGVNYIAD RDVITTGGNI GVNINIPGTY LVTIVLNATS IGPLTFTGNS KLVGNSLNLT SSGASALTFT LNSTGVPNSS DSSFSVGTVV ALTRVRMTIT RCSPETAYLA
Secondary structure	CCCCCCCCCC CCCCCCCCCC CCCCCCCCCC CCCCCCCCCC CCCCCCCCCC CCCCCCCCCC CCCCCCCCCC CCCCCCCEEC CCCCCCCCCC CCCCCCCCCE EEEEEEECCC CCEECCCCCC CCCCCCCCCC CCCCCCCCHH HHCCCCEEEE EEEEEEEEEC CCCCCCCCEE EEEECCCCCC CCCCHHHHHH CCEEEEECCC CCEEEECCCC CCCEECCCCC CCCHHHHCCC EEEECEECCC CCCCCEEEEE EEEEEECCCC CCCCCCCCCE EEECCCCCCC CEEEECCCCC EEEEEECCEE EEEECCCEEE EEEEEECCCC CCCCEEEEEC CCEEEEEEEE ECCCCCEEEE EEEEECCCCC EEEEECCCCC CCCCCEEEEE ECCCCCCCCC
Movie from predicted structures	To download the movie, right click on the desired file format:
Estimated finish time	2018-Jan-11 09:58 UTC

Project Name	madhan

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	madhan

Clustering data

Cluster #	1	2	3	4	5	6	7	8	9	10	11	12
Cluster density	193.4	163.9	127.0	126.9	104.7	98.7	83.8	39.3	37.6	24.6	21.9	16.0
Cluster size	338	334	293	211	186	171	142	90	90	61	40	44
Average cluster RMSD	1.7	2.0	2.3	1.7	1.8	1.7	1.7	2.3	2.4	2.5	1.8	2.8

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	30.70	21.10	22.40	20.90	22.80	19.90	21.90	19.50	21.00	19.70	20.60	24.40
GDT_TS	0.48	0.51	0.37	0.52	0.48	0.55	0.50	0.53	0.47	0.49	0.49	0.53

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	18.00	19.40	18.30	21.60	20.90	19.20	22.70	18.00	20.20	22.40	13.70
2	18.00	0.00	8.42	3.91	10.70	7.49	8.07	9.19	5.85	6.80	11.90	13.80
3	19.40	8.42	0.00	7.82	11.10	7.91	8.27	10.90	8.75	8.83	13.90	16.00
4	18.30	3.91	7.82	0.00	10.10	6.12	7.42	7.86	6.23	6.74	10.90	13.50
5	21.60	10.70	11.10	10.10	0.00	8.46	9.18	9.59	10.90	10.10	10.10	18.40
6	20.90	7.49	7.91	6.12	8.46	0.00	5.17	5.77	8.11	6.51	11.00	15.90
7	19.20	8.07	8.27	7.42	9.18	5.17	0.00	8.89	8.86	8.46	12.40	15.90
8	22.70	9.19	10.90	7.86	9.59	5.77	8.89	0.00	9.55	7.01	10.40	16.20
9	18.00	5.85	8.75	6.23	10.90	8.11	8.86	9.55	0.00	4.91	14.10	14.40
10	20.20	6.80	8.83	6.74	10.10	6.51	8.46	7.01	4.91	0.00	13.00	15.00
11	22.40	11.90	13.90	10.90	10.10	11.00	12.40	10.40	14.10	13.00	0.00	16.80
12	13.70	13.80	16.00	13.50	18.40	15.90	15.90	16.20	14.40	15.00	16.80	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	0.55	0.37	0.56	0.54	0.54	0.58	0.54	0.49	0.51	0.48	0.54
2	0.55	1.00	0.43	0.68	0.58	0.60	0.67	0.61	0.61	0.62	0.49	0.55
3	0.37	0.43	1.00	0.44	0.40	0.41	0.42	0.42	0.41	0.43	0.41	0.37
4	0.56	0.68	0.44	1.00	0.64	0.69	0.69	0.61	0.56	0.59	0.51	0.55
5	0.54	0.58	0.40	0.64	1.00	0.59	0.59	0.55	0.50	0.51	0.53	0.54
6	0.54	0.60	0.41	0.69	0.59	1.00	0.66	0.62	0.56	0.55	0.53	0.56
7	0.58	0.67	0.42	0.69	0.59	0.66	1.00	0.61	0.57	0.60	0.49	0.54
8	0.54	0.61	0.42	0.61	0.55	0.62	0.61	1.00	0.59	0.63	0.55	0.56
9	0.49	0.61	0.41	0.56	0.50	0.56	0.57	0.59	1.00	0.60	0.47	0.49
10	0.51	0.62	0.43	0.59	0.51	0.55	0.60	0.63	0.60	1.00	0.51	0.51
11	0.48	0.49	0.41	0.51	0.53	0.53	0.49	0.55	0.47	0.51	1.00	0.54
12	0.54	0.55	0.37	0.55	0.54	0.56	0.54	0.56	0.49	0.51	0.54	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