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Status: Done started: 2017-Jul-08 19:19:55 UTC
Project Names6adn
SequenceSIQSTIWNSRGLGTLRTWRTAYNQLSGIPEDWGPCDEHGEHHTINYLEFPRTGDPVTNMENIDVLHVRHRVPSPREFQIV DCMMFSMFVTGSPVLGNSRLIVCCSPCSSQGPQSSGIPDSLYA
Secondary structure

CCCCCEECCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCEEEEEEECCCCCCCCCCCCCCEEEEEECCCCCCCCEEEE EEEEEEEEEECCCCCCCCEEEEEECCCCCCCCCCCCCCCCCCC

Simulation (CABS) temperature3.5 - 1.0
Estimated finish time2017-Jul-09 09:14 UTC

Time evolution of structural features: CABS energy, End-to-end distance and Radius of gyration.

Cluster #123456789
Cluster density12.812.24.44.33.91.80.60.50.3
Cluster size4711346604529875
Average cluster RMSD3.79.210.413.911.716.214.215.114.9

Clustering of protein models is the task of separating a set of protein models (here a protein dynamics trajectory) into groups (called clusters). The clustering is done in such a way that models are more similar in the same group to each other (here in the sense of RMSD measure), than those in other groups (clusters). CABSfold utilizes classical K-means clustering method.
After clustering is done, each cluster representative is chosen (always the model which average dissimilarity to all models in a cluster is minimal). Predicted protein models, presented in the Predicted structures tab, are each cluster representatives (the clusters and the corresponding models are marked by the same numbers, e.g. Model 1 represents Cluster 1).
The clusters are numbered/ranked according to cluster density values, from the most dense (numbered as a first) to the least dense one.

#123456789
1 0.00 14.10 16.20 14.20 15.60 16.60 22.90 21.00 26.60
2 14.10 0.00 10.40 11.50 15.60 19.80 24.30 25.20 24.00
3 16.20 10.40 0.00 11.20 14.90 18.50 22.10 22.10 24.70
4 14.20 11.50 11.20 0.00 15.10 20.50 18.00 24.10 27.80
5 15.60 15.60 14.90 15.10 0.00 19.00 19.50 20.20 23.40
6 16.60 19.80 18.50 20.50 19.00 0.00 25.50 19.20 24.60
7 22.90 24.30 22.10 18.00 19.50 25.50 0.00 23.40 30.50
8 21.00 25.20 22.10 24.10 20.20 19.20 23.40 0.00 23.80
9 26.60 24.00 24.70 27.80 23.40 24.60 30.50 23.80 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.

#123456789
1 1.00 0.28 0.25 0.30 0.16 0.16 0.18 0.15 0.15
2 0.28 1.00 0.44 0.38 0.18 0.15 0.22 0.15 0.14
3 0.25 0.44 1.00 0.46 0.20 0.16 0.19 0.17 0.15
4 0.30 0.38 0.46 1.00 0.19 0.16 0.20 0.15 0.13
5 0.16 0.18 0.20 0.19 1.00 0.15 0.14 0.18 0.14
6 0.16 0.15 0.16 0.16 0.15 1.00 0.14 0.14 0.14
7 0.18 0.22 0.19 0.20 0.14 0.14 1.00 0.15 0.14
8 0.15 0.15 0.17 0.15 0.18 0.14 0.15 1.00 0.14
9 0.15 0.14 0.15 0.13 0.14 0.14 0.14 0.14 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 2013