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

Download models Download C^α trajectory

Status: Done started: 2018-Jul-11 11:54:17 UTC

Project Name
Sequence	AAAAIYGHFV DIRNLVK
Secondary structure	CCCCCCCCCC CCCCCCC
Movie from predicted structures	To download the movie, right click on the desired file format:
Estimated finish time	2018-Jul-11 16:15 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	470.7	450.8	389.6	309.1	72.5	65.6	61.5	59.0	28.3	10.9	7.7	2.9
Cluster size	445	418	350	310	97	100	80	95	55	28	15	7
Average cluster RMSD	0.9	0.9	0.9	1.0	1.3	1.5	1.3	1.6	1.9	2.6	1.9	2.4

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	10.00	9.95	10.20	9.98	9.73	9.62	10.10	10.30	11.50	8.59	10.90	8.70
GDT_TS	0.20	0.26	0.20	0.20	0.28	0.29	0.23	0.20	0.31	0.43	0.40	0.37

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	0.68	0.94	0.38	0.92	1.53	1.87	1.64	3.12	2.73	4.75	2.54
2	0.68	0.00	0.62	0.67	1.05	1.22	1.65	1.83	3.24	2.61	4.79	2.62
3	0.94	0.62	0.00	0.88	1.35	1.33	1.62	1.75	3.05	2.76	4.53	2.84
4	0.38	0.67	0.88	0.00	0.89	1.57	1.85	1.65	3.10	2.68	4.88	2.48
5	0.92	1.05	1.35	0.89	0.00	1.70	1.90	1.78	3.50	2.77	5.02	2.01
6	1.53	1.22	1.33	1.57	1.70	0.00	1.55	2.13	3.51	2.46	4.47	2.90
7	1.87	1.65	1.62	1.85	1.90	1.55	0.00	2.37	3.35	3.15	4.18	3.11
8	1.64	1.83	1.75	1.65	1.78	2.13	2.37	0.00	3.06	3.24	5.10	2.97
9	3.12	3.24	3.05	3.10	3.50	3.51	3.35	3.06	0.00	4.38	4.62	4.62
10	2.73	2.61	2.76	2.68	2.77	2.46	3.15	3.24	4.38	0.00	5.44	3.34
11	4.75	4.79	4.53	4.88	5.02	4.47	4.18	5.10	4.62	5.44	0.00	5.21
12	2.54	2.62	2.84	2.48	2.01	2.90	3.11	2.97	4.62	3.34	5.21	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	0.97	0.95	1.00	0.95	0.94	0.93	0.94	0.79	0.85	0.68	0.85
2	0.97	1.00	1.00	0.97	0.94	0.95	0.95	0.95	0.81	0.82	0.69	0.81
3	0.95	1.00	1.00	0.95	0.93	0.93	0.94	0.95	0.82	0.84	0.69	0.81
4	1.00	0.97	0.95	1.00	0.97	0.95	0.93	0.94	0.79	0.85	0.66	0.84
5	0.95	0.94	0.93	0.97	1.00	0.91	0.91	0.93	0.78	0.82	0.66	0.85
6	0.94	0.95	0.93	0.95	0.91	1.00	0.95	0.91	0.76	0.87	0.69	0.79
7	0.93	0.95	0.94	0.93	0.91	0.95	1.00	0.91	0.79	0.81	0.70	0.78
8	0.94	0.95	0.95	0.94	0.93	0.91	0.91	1.00	0.81	0.81	0.63	0.79
9	0.79	0.81	0.82	0.79	0.78	0.76	0.79	0.81	1.00	0.66	0.54	0.76
10	0.85	0.82	0.84	0.85	0.82	0.87	0.81	0.81	0.66	1.00	0.68	0.69
11	0.68	0.69	0.69	0.66	0.66	0.69	0.70	0.63	0.54	0.68	1.00	0.53
12	0.85	0.81	0.81	0.84	0.85	0.79	0.78	0.79	0.76	0.69	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