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

Download models Download C^α trajectory

Status: Done started: 2018-Apr-09 06:49:22 UTC

Project Name	TRgepeemod2
Sequence	GELYQRWERY RRECQETLAA AEPPSGLACN GSFDMYVCWD YAAPNATARA SCPWYLPWHH HVAAGFVLRQ CGSDGQWGLW RDHTQCENPE KNEAFLDQRL ILERLQVMYT VGYSLSLATL LLALLILSLF RRLHCTRNYI HINLFTSFML RAAAILSRDR LLPRPGPYLG DQALALWNQA LAACRTAQIV TQYCVGANYT WLLVEGVYLH SLLVLVGGSE EGHFRYYLLL GWGAPALFVI PWVIVRYLYE NTQCWERNEV KAIWWIIRTP ILMTILINFL IFIRILGILL SKLRTRQMRC RDYRLRLARS TLTLVPLLGV HEVVFAPVTE EQARGALRFA KLGFEIFLSS FQGFLVSVLY CFINKEVQSE IRRGWHHCR
Secondary structure	CHHHHHHHHH HHHHHHHHHH CCCCCCCCCC CCCCCCCCCC CCCCCEEEEE ECCCCCCCCC CCCCCEEEEE ECCCCCEEEE EECCCCCCCH HHHHCCCHHH HHHHHHCCCH HHHHHHHHHH HHHHHHHHHH CCCCCHHHHH HHHHHHHHHH HHHHHHHHHH HCCCCCCCCC HHHHHHHHHH HHHHHHHHHH HHHHHHHHHH HHHHHHHHHH HHHHCCCCCH HHHHHHHHHH HHHHHHHHHH HHHHHHHHHC CCCCCCCCCC CCCHHHHHHH HHHHHHHHHH HHHHHHHHHH HHHHHCCCCC CCCHHHHHHH HCCCHHHHCC CCCCCCCCCC CCCCCHHHHH HHHHHHHHHH HHHHHHHHHH CCCCHHHHHH HHHHHHHHC
Movie from predicted structures	To download the movie, right click on the desired file format:
Estimated finish time	2018-Apr-09 11:58 UTC

Project Name	TRgepeemod2

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	TRgepeemod2

Clustering data

Cluster #	1	2	3	4	5	6	7	8	9	10	11	12
Cluster density	182.7	178.6	171.2	167.9	153.2	144.6	128.7	126.4	107.9	97.3	88.3	84.3
Cluster size	226	222	207	204	190	188	134	156	150	118	101	104
Average cluster RMSD	1.2	1.2	1.2	1.2	1.2	1.3	1.0	1.2	1.4	1.2	1.1	1.2

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	4.66	4.71	5.06	5.04	5.16	4.71	5.16	4.53	4.31	4.66	4.93	4.35
GDT_TS	0.49	0.53	0.48	0.49	0.50	0.51	0.51	0.50	0.57	0.51	0.52	0.52

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	3.44	2.43	2.95	3.22	2.49	3.47	2.56	3.77	3.19	3.62	3.22
2	3.44	0.00	3.47	2.02	2.49	3.66	2.26	3.21	2.66	4.22	2.14	4.20
3	2.43	3.47	0.00	3.06	3.00	2.74	3.73	2.60	3.87	3.13	3.55	3.33
4	2.95	2.02	3.06	0.00	2.41	3.25	1.98	2.82	3.03	3.92	2.47	4.00
5	3.22	2.49	3.00	2.41	0.00	3.43	2.89	2.97	3.61	3.73	2.92	4.05
6	2.49	3.66	2.74	3.25	3.43	0.00	3.98	3.02	4.05	2.74	3.56	2.93
7	3.47	2.26	3.73	1.98	2.89	3.98	0.00	3.43	3.26	4.41	2.64	4.40
8	2.56	3.21	2.60	2.82	2.97	3.02	3.43	0.00	3.64	3.44	3.57	3.49
9	3.77	2.66	3.87	3.03	3.61	4.05	3.26	3.64	0.00	4.53	2.67	4.23
10	3.19	4.22	3.13	3.92	3.73	2.74	4.41	3.44	4.53	0.00	4.09	2.37
11	3.62	2.14	3.55	2.47	2.92	3.56	2.64	3.57	2.67	4.09	0.00	3.97
12	3.22	4.20	3.33	4.00	4.05	2.93	4.40	3.49	4.23	2.37	3.97	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	0.60	0.69	0.67	0.65	0.69	0.60	0.68	0.57	0.64	0.57	0.66
2	0.60	1.00	0.62	0.75	0.69	0.63	0.72	0.61	0.68	0.57	0.76	0.59
3	0.69	0.62	1.00	0.65	0.68	0.69	0.59	0.67	0.57	0.65	0.59	0.62
4	0.67	0.75	0.65	1.00	0.73	0.67	0.77	0.65	0.63	0.58	0.68	0.59
5	0.65	0.69	0.68	0.73	1.00	0.66	0.68	0.65	0.59	0.62	0.66	0.59
6	0.69	0.63	0.69	0.67	0.66	1.00	0.61	0.62	0.56	0.69	0.60	0.66
7	0.60	0.72	0.59	0.77	0.68	0.61	1.00	0.58	0.61	0.55	0.67	0.56
8	0.68	0.61	0.67	0.65	0.65	0.62	0.58	1.00	0.57	0.59	0.60	0.61
9	0.57	0.68	0.57	0.63	0.59	0.56	0.61	0.57	1.00	0.54	0.70	0.55
10	0.64	0.57	0.65	0.58	0.62	0.69	0.55	0.59	0.54	1.00	0.56	0.70
11	0.57	0.76	0.59	0.68	0.66	0.60	0.67	0.60	0.70	0.56	1.00	0.57
12	0.66	0.59	0.62	0.59	0.59	0.66	0.56	0.61	0.55	0.70	0.57	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