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

Download models Download C^α trajectory

Status: Done started: 2018-Apr-15 14:47:10 UTC

Project Name	mdCDKA
Sequence	MEQYEKVEKI GEGTYGVVYK ALDKATNETI ALKKIRLEQE DEGVPSTAIR EISLLKEMNH GNIVRLHDVV HSEKRIYLVF EYLDLDLKKF MDSCPEFAKN PTLIKSYLYQ ILHGVAYCHS HRVLHRDLKP QNLLIDRRTN ALKLADFGLA RAFGIPVRTF THEVVTLWYR APEILLGARQ YSTPVDVWSV GCIFAEMVNQ KPLFPGDSEI DELFKIFRIL GTPNEQSWPG VSCLPDFKTA FPRWQAQDLA TVVPNLDPAG LDLLSKMLRY EPSKRITARQ ALEHEYFKDL EVVQ
Secondary structure	CCCEEEEEEE EECCCCEEEE EEECCCCCEE EEEEEECCCC CCCCCCHHHH HHHHHHHCCC CCCCCEEEEE EECCEEEEEE ECCCEEHHHH HHHCCCCCCC HHHHHHHHHH HHHHHHHHHH CCCCCCCCCC CCEEEECCCC EEEECCCCHH HHCCCCCCCC CCCCCCCCCC CHHHHHCCCC CCCHHHHHHH HHHHHHHHHC CCCCCCCCHH HHHHHHHHHH CCCCCCCCCC CCCCCCCCCC CCCCCCCCHH HHCCCCCHHH HHHHHHHCCC CCCCCCCHHH HHHCCCCCCC CCCC
Movie from predicted structures	To download the movie, right click on the desired file format:
Estimated finish time	2018-Apr-15 19:44 UTC

Project Name	mdCDKA

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	mdCDKA

Clustering data

Cluster #	1	2	3	4	5	6	7	8	9	10	11	12
Cluster density	149.2	135.2	133.3	130.4	120.9	118.8	118.5	109.1	104.6	90.3	80.9	63.1
Cluster size	226	209	201	196	165	183	163	167	152	132	119	87
Average cluster RMSD	1.5	1.5	1.5	1.5	1.4	1.5	1.4	1.5	1.5	1.5	1.5	1.4

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	3.99	3.88	3.72	3.74	3.75	3.16	3.73	3.93	4.11	3.71	3.62	3.12
GDT_TS	0.58	0.59	0.58	0.60	0.59	0.65	0.62	0.57	0.57	0.59	0.58	0.63

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	2.63	3.22	2.65	3.03	3.23	2.86	2.77	2.42	2.62	2.95	3.19
2	2.63	0.00	2.94	2.73	2.84	3.02	3.23	3.35	2.25	3.07	3.41	3.41
3	3.22	2.94	0.00	2.65	3.11	2.89	3.76	3.49	2.66	3.23	3.23	3.68
4	2.65	2.73	2.65	0.00	2.76	2.55	3.07	2.95	2.44	2.79	3.16	3.38
5	3.03	2.84	3.11	2.76	0.00	3.00	3.32	3.11	2.77	3.15	3.38	3.51
6	3.23	3.02	2.89	2.55	3.00	0.00	3.18	3.14	3.09	2.80	2.97	3.01
7	2.86	3.23	3.76	3.07	3.32	3.18	0.00	2.46	3.22	2.69	3.34	3.26
8	2.77	3.35	3.49	2.95	3.11	3.14	2.46	0.00	3.00	2.34	2.79	2.96
9	2.42	2.25	2.66	2.44	2.77	3.09	3.22	3.00	0.00	2.74	3.15	3.61
10	2.62	3.07	3.23	2.79	3.15	2.80	2.69	2.34	2.74	0.00	2.18	2.64
11	2.95	3.41	3.23	3.16	3.38	2.97	3.34	2.79	3.15	2.18	0.00	2.29
12	3.19	3.41	3.68	3.38	3.51	3.01	3.26	2.96	3.61	2.64	2.29	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	0.68	0.62	0.66	0.63	0.64	0.65	0.64	0.71	0.65	0.64	0.64
2	0.68	1.00	0.66	0.67	0.64	0.64	0.64	0.59	0.73	0.61	0.58	0.61
3	0.62	0.66	1.00	0.69	0.63	0.64	0.60	0.61	0.69	0.60	0.59	0.60
4	0.66	0.67	0.69	1.00	0.66	0.71	0.63	0.63	0.69	0.63	0.58	0.60
5	0.63	0.64	0.63	0.66	1.00	0.66	0.62	0.61	0.68	0.62	0.58	0.57
6	0.64	0.64	0.64	0.71	0.66	1.00	0.66	0.61	0.65	0.65	0.62	0.62
7	0.65	0.64	0.60	0.63	0.62	0.66	1.00	0.71	0.64	0.70	0.63	0.65
8	0.64	0.59	0.61	0.63	0.61	0.61	0.71	1.00	0.63	0.71	0.66	0.64
9	0.71	0.73	0.69	0.69	0.68	0.65	0.64	0.63	1.00	0.64	0.62	0.58
10	0.65	0.61	0.60	0.63	0.62	0.65	0.70	0.71	0.64	1.00	0.71	0.69
11	0.64	0.58	0.59	0.58	0.58	0.62	0.63	0.66	0.62	0.71	1.00	0.74
12	0.64	0.61	0.60	0.60	0.57	0.62	0.65	0.64	0.58	0.69	0.74	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