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Status: Done started: 2016-Oct-23 01:34:14 UTC
Project Nameasia_cut50_18
SequenceLTAKSKAARQRRVEQWQATVHAAKSVDEKLRILTKMQFMKYVVYPQTFALNADNWYQSFTKTVFLSGLPPTPAKLEPEPT LDITALREAVCDCLLQEHFFLRRKKRAPVIQDREAIASPFLDQLVASLTGLLSVHNPVLAAAALDCKRPVHFFWLRGEEI IPRGHRKGRVDALRYQINDKPHNQIRISRQLPEFVPLDYSIPIEVPVMSCKPDKLPLFKRQYENTIFIGSKTADPLCYGH TQFHLLPDKLKREKLLKQNCADQIEVVFRANAIASLFAWTGAQAMYQGFWSEADVTRPFVSQGVITDGKYFSFFCYQLNT LALTAQADQNNPRKNICWGTQSKPLYETIEDNNVKGFNDDVLLQLVQFLLNRPKEDKSQLLEN
Secondary structure

CCCCHHHHHHHHHHHHHHHHHHCCCHHHHHHHCCCCCCCCEEECCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCC CCHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHCCCCCEEEEEECCCCC CCCCCCCCCCCCCCEEECCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CEEEECCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCEEEEEECCCEEEEEEEEECC CCCCCCCCCCCCCCEEEEECCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCHHHHCC

Simulation (CABS) temperature3.5 - 1.0
Estimated finish time2016-Oct-23 15:29 UTC

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

Cluster #123456
Cluster density17.111.01.30.70.60.6
Cluster size208103271156
Average cluster RMSD12.19.321.416.48.610.4

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.

#123456
1 0.00 23.40 34.90 52.00 40.50 45.30
2 23.40 0.00 39.70 55.70 36.60 48.60
3 34.90 39.70 0.00 32.50 44.00 33.30
4 52.00 55.70 32.50 0.00 55.50 26.00
5 40.50 36.60 44.00 55.50 0.00 44.50
6 45.30 48.60 33.30 26.00 44.50 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.

#123456
1 1.00 0.09 0.07 0.08 0.09 0.07
2 0.09 1.00 0.07 0.07 0.08 0.08
3 0.07 0.07 1.00 0.06 0.07 0.08
4 0.08 0.07 0.06 1.00 0.07 0.09
5 0.09 0.08 0.07 0.07 1.00 0.07
6 0.07 0.08 0.08 0.09 0.07 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.


 

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