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

Download models Download C^α trajectory

Status: Done started: 2018-Dec-27 03:27:54 UTC

Project Name
Sequence	MENFPTEYFL NTTVRLLEYI RYRDSNYTRE ERIENLHYAY NKAAHHFAQP RQQQLLKVDP KRLQASLQTI VGMVVYSWAK VSKECMADLS IHYTYTLVLE DSKDDPYPTM VNYFDDLQAG REQAHPWWAL VNEHFPNVLR HFGPFCSLNL IRSTLDFFEG CWIEQYNFGG FPGSHDYPQF LRRMNGLGHC VGASLWPKEQ FNERSLFLEI TSAIAQMENW MVWVNDLMSF YKEFDDERDQ ISLVKNYVVS DEISLHEALE KLTQDTLHSS KQMVAVFSDK DPQVMDTIEC FMHGYVTWHL CDRRYRLSEI YEKVKEEKTE DAQKFCKFYE QAANVGAVSP SEWAYPPVAQ LANV
Secondary structure	CCCCCHHHHH HHHHHHHHHC CCCCCCCCHH HHHHHHHHHH HHHHHHHCCH HHHHHCCCCH HHHHHHHHHH HHHHHHHCCC CCHHHHHHHH HHHHHHHHHC CCCCCCHHHH CCHHHHHHHC CCCCCHHHHH HHHHHHHHHC CCCHHHHHHH HHHHHHHHHH HHHHCCCCCC CCCCCCHHHH HHHHHHCHHH HHHCCCCCCC CCCCCCHHHH HHHHHHHHHH HHHHHHHHHH HHHHCCCCCC CCHHHHHHHH HCCCHHHHHH HHHHHHHHHH HHHHHHHCCC CHHHHHHHHH HHHHHHHHHH HCCCCCHHHH HHHHCCCCCH HHHHHHHHHH HHHHHHCCCC CCCCCCCHHH HHHC
Movie from predicted structures	To download the movie, right click on the desired file format:
Estimated finish time	2018-Dec-27 07:33 UTC

Project Name

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

Clustering data

Cluster #	1	2	3	4	5	6	7	8	9	10	11	12
Cluster density	234.5	188.9	186.8	185.1	169.4	167.1	158.7	136.2	133.3	114.3	78.1	40.0
Cluster size	260	207	211	206	184	182	177	161	147	123	101	41
Average cluster RMSD	1.1	1.1	1.1	1.1	1.1	1.1	1.1	1.2	1.1	1.1	1.3	1.0

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	3.47	3.64	3.98	3.30	3.36	3.80	3.51	3.23	3.53	3.57	2.45	2.51
GDT_TS	0.66	0.65	0.68	0.65	0.69	0.66	0.69	0.67	0.69	0.67	0.72	0.68

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	2.03	2.73	1.98	1.91	2.04	1.99	2.33	1.93	2.03	2.91	3.65
2	2.03	0.00	3.07	2.09	2.28	2.39	2.10	2.73	2.46	2.08	3.30	3.73
3	2.73	3.07	0.00	3.11	2.87	2.90	2.90	2.96	2.86	2.76	3.43	4.25
4	1.98	2.09	3.11	0.00	2.11	2.36	2.00	2.27	2.20	2.18	2.90	3.47
5	1.91	2.28	2.87	2.11	0.00	2.13	1.99	1.98	1.81	2.10	2.87	3.47
6	2.04	2.39	2.90	2.36	2.13	0.00	1.87	2.41	1.94	1.88	3.46	4.02
7	1.99	2.10	2.90	2.00	1.99	1.87	0.00	2.30	1.83	1.93	3.24	3.72
8	2.33	2.73	2.96	2.27	1.98	2.41	2.30	0.00	2.22	2.23	2.69	3.63
9	1.93	2.46	2.86	2.20	1.81	1.94	1.83	2.22	0.00	2.12	3.16	3.73
10	2.03	2.08	2.76	2.18	2.10	1.88	1.93	2.23	2.12	0.00	3.23	3.76
11	2.91	3.30	3.43	2.90	2.87	3.46	3.24	2.69	3.16	3.23	0.00	2.46
12	3.65	3.73	4.25	3.47	3.47	4.02	3.72	3.63	3.73	3.76	2.46	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	0.77	0.78	0.76	0.76	0.77	0.76	0.73	0.76	0.75	0.73	0.70
2	0.77	1.00	0.73	0.79	0.72	0.74	0.75	0.68	0.71	0.77	0.70	0.67
3	0.78	0.73	1.00	0.72	0.77	0.73	0.75	0.71	0.78	0.73	0.76	0.68
4	0.76	0.79	0.72	1.00	0.72	0.73	0.75	0.71	0.71	0.75	0.71	0.66
5	0.76	0.72	0.77	0.72	1.00	0.72	0.73	0.75	0.78	0.73	0.76	0.71
6	0.77	0.74	0.73	0.73	0.72	1.00	0.79	0.69	0.75	0.78	0.71	0.68
7	0.76	0.75	0.75	0.75	0.73	0.79	1.00	0.71	0.78	0.77	0.72	0.69
8	0.73	0.68	0.71	0.71	0.75	0.69	0.71	1.00	0.73	0.72	0.74	0.65
9	0.76	0.71	0.78	0.71	0.78	0.75	0.78	0.73	1.00	0.74	0.74	0.68
10	0.75	0.77	0.73	0.75	0.73	0.78	0.77	0.72	0.74	1.00	0.71	0.69
11	0.73	0.70	0.76	0.71	0.76	0.71	0.72	0.74	0.74	0.71	1.00	0.75
12	0.70	0.67	0.68	0.66	0.71	0.68	0.69	0.65	0.68	0.69	0.75	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