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Status: Done started: 2014-Dec-09 08:24:45 UTC
Project Nametg1+c_term
SequencePCLAELERIQIQEAAKKKPGIFIPSCDEDGYYRKMQCDQSSGDCWCVDQLGLELTGTRTHGSPDCDDIVGFAGDFGAGVG WEDEEEKETEEAGEEAEEEEGEAGEADDGGYIW
Secondary structure

CCHHHHHHHHHHHHCCCCCCCCCCCCCCCCCEEEECCCCCCCCEEEEECCCEEEECCCCCCCCCCCCCCCCCCCCCCCCC CCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2014-Dec-09 19:26 UTC

Provided templates.

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

Cluster #12345678
Cluster density32.318.114.110.16.24.73.30.8
Cluster size6610257523524222
Average cluster RMSD2.05.64.05.25.65.16.72.6

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.

#12345678
1 0.00 12.60 12.30 10.30 5.42 10.70 14.10 10.90
2 12.60 0.00 4.97 6.02 9.08 8.19 12.60 19.80
3 12.30 4.97 0.00 6.80 8.83 9.62 11.70 19.10
4 10.30 6.02 6.80 0.00 7.27 6.05 13.30 16.10
5 5.42 9.08 8.83 7.27 0.00 8.73 12.60 13.60
6 10.70 8.19 9.62 6.05 8.73 0.00 14.00 15.90
7 14.10 12.60 11.70 13.30 12.60 14.00 0.00 17.80
8 10.90 19.80 19.10 16.10 13.60 15.90 17.80 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.

#12345678
1 1.00 0.47 0.60 0.56 0.55 0.56 0.22 0.56
2 0.47 1.00 0.50 0.47 0.47 0.41 0.27 0.41
3 0.60 0.50 1.00 0.59 0.54 0.52 0.24 0.54
4 0.56 0.47 0.59 1.00 0.56 0.58 0.26 0.51
5 0.55 0.47 0.54 0.56 1.00 0.48 0.25 0.46
6 0.56 0.41 0.52 0.58 0.48 1.00 0.23 0.51
7 0.22 0.27 0.24 0.26 0.25 0.23 1.00 0.23
8 0.56 0.41 0.54 0.51 0.46 0.51 0.23 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