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

Download models Download C^α trajectory

Status: Done started: 2018-Apr-09 10:07:03 UTC

Project Name	mc16_Carbonic_Anhydrase
Sequence	HHWGYGKHNG PEHWHKDFPI AKGERQSPVD IDTHTAKYDP SLKPLSVSYD QATSLRILNN GHAFNVEFDD SQDKAVLKGG PLDGTYRLIQ FHFHWGSLDG QGSEHTVDKK KYAAELHLVH WNTKYGDVGK AVQQPDGLAV LGIFLKVGSA KPGLQKVVDV LDSIKTKGKS ADFTNFDPRG LLPESLDYWT YPGSLTTPPL LECVTWIVLK EPISVSSEQV LKFRKLNFNG EGEPEELMVD NWRPAQPLKN RQIKASFK
Secondary structure	CCCCCCCCCC CCCCCCCCCC CCCCCCCCCE ECCCCCEECC CCCCEEEECC CCCEEEEEEC CCCEEEEECC CCCCCEEEEC CCCCCEEEEE EEEEECCCCC CCCCCEECCC CCCEEEEEEE EECCCCCHHH HCCCCCCEEE EEEEEEECCC CCCCHHHHHH CCCCCCCCCE EECCCCCCCC CCCCCCCEEE EEECCCCCCC CCCEEEEEEC CCEEECHHHH HHHCCCCCCC CCCCCCCCCC CCCCCCCCCC CCCEECCC
Movie from predicted structures	To download the movie, right click on the desired file format:
Estimated finish time	2018-Apr-09 15:00 UTC

Project Name	mc16_Carbonic_Anhydrase

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	mc16_Carbonic_Anhydrase

Clustering data

Cluster #	1	2	3	4	5	6	7	8	9	10	11	12
Cluster density	171.5	157.7	156.3	141.4	133.4	125.1	114.4	103.3	99.3	93.3	77.8	40.8
Cluster size	250	216	251	203	183	164	163	146	134	129	108	53
Average cluster RMSD	1.5	1.4	1.6	1.4	1.4	1.3	1.4	1.4	1.3	1.4	1.4	1.3

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	2.98	2.71	2.91	2.87	2.93	3.26	3.31	3.54	2.96	2.97	3.14	3.13
GDT_TS	0.62	0.64	0.63	0.63	0.62	0.59	0.59	0.57	0.61	0.64	0.61	0.61

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	2.38	2.48	2.12	2.42	2.51	2.75	2.73	2.60	3.00	2.54	2.56
2	2.38	0.00	2.46	2.08	2.06	2.33	2.70	2.61	2.10	2.77	2.75	2.78
3	2.48	2.46	0.00	2.40	2.47	2.57	2.96	3.12	2.60	2.26	2.26	2.52
4	2.12	2.08	2.40	0.00	2.05	2.16	2.54	2.41	2.15	2.85	2.56	2.66
5	2.42	2.06	2.47	2.05	0.00	2.21	2.60	2.45	1.86	2.82	2.70	2.86
6	2.51	2.33	2.57	2.16	2.21	0.00	2.74	2.28	2.32	3.13	2.61	2.80
7	2.75	2.70	2.96	2.54	2.60	2.74	0.00	2.32	2.33	3.52	3.33	3.17
8	2.73	2.61	3.12	2.41	2.45	2.28	2.32	0.00	2.57	3.69	3.30	3.21
9	2.60	2.10	2.60	2.15	1.86	2.32	2.33	2.57	0.00	2.84	3.06	2.99
10	3.00	2.77	2.26	2.85	2.82	3.13	3.52	3.69	2.84	0.00	3.02	3.31
11	2.54	2.75	2.26	2.56	2.70	2.61	3.33	3.30	3.06	3.02	0.00	2.56
12	2.56	2.78	2.52	2.66	2.86	2.80	3.17	3.21	2.99	3.31	2.56	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	0.72	0.74	0.72	0.69	0.69	0.68	0.67	0.68	0.65	0.73	0.73
2	0.72	1.00	0.69	0.74	0.74	0.71	0.70	0.70	0.75	0.65	0.71	0.71
3	0.74	0.69	1.00	0.69	0.68	0.68	0.68	0.63	0.69	0.71	0.76	0.70
4	0.72	0.74	0.69	1.00	0.75	0.73	0.69	0.70	0.72	0.65	0.69	0.67
5	0.69	0.74	0.68	0.75	1.00	0.74	0.72	0.71	0.80	0.64	0.69	0.68
6	0.69	0.71	0.68	0.73	0.74	1.00	0.69	0.73	0.73	0.61	0.70	0.66
7	0.68	0.70	0.68	0.69	0.72	0.69	1.00	0.74	0.74	0.60	0.66	0.66
8	0.67	0.70	0.63	0.70	0.71	0.73	0.74	1.00	0.70	0.59	0.64	0.65
9	0.68	0.75	0.69	0.72	0.80	0.73	0.74	0.70	1.00	0.63	0.68	0.68
10	0.65	0.65	0.71	0.65	0.64	0.61	0.60	0.59	0.63	1.00	0.66	0.65
11	0.73	0.71	0.76	0.69	0.69	0.70	0.66	0.64	0.68	0.66	1.00	0.72
12	0.73	0.71	0.70	0.67	0.68	0.66	0.66	0.65	0.68	0.65	0.72	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