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Status: Done started: 2016-Nov-05 12:45:41 UTC
Project Name4cpl52
SequenceEPEWTYPRLSCPGSTFQKALLISPHRFGETKGNSAPLIIREPFIACGPNECKHFALTHYAAQPGGYYNGTRGDRNKLRHL ISVKLGKIPTVENSIFHMAAWSGSACHDGKEWTYIGVDGPDNNALLKIKYGEAYTDTYHSYANKILRTQESACNCIGGNC YLMITDGSASGVSECRFLKIREGRIIKEIFPTGRVKHTEECTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRL MCTDTYLDTPRPDDGSITGPCESNGDKGSGGIKGGFVHQRMASKIGRWYSRTMSKTERMGMGLYVKYDGDPWADSDALAF SGVMVSMKEPGWYSFGFEIKDKKCDVPCIGIEMVHDGGKETWHSAATAIYCLMGSGQLLWDTVTGVDMAL
Secondary structure

CCCCCCCCCCCCCCCCCCEEECCCCCCCCCCCCCCCEEEECCEECCCCCCCCCEEEEECCCCCCCCCCCCCCCCCCCCEE EEEECCCCCCCCCCEEEEECCCCCCCCCCCCEEEEEECCCCCCCEEEEEECCCCCHHHHHHHHHHHHCCCCCCCEECCEE EEEEECCCCCCCCCEEEEEEECCCEEEEECCCCCCCCCCCCEECCCCCCEEEEEECCCCCCCCCCEEEEEEECCCEEEEE EECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCHHHCCCCCCCCCCCEEEEEECCCCCCCCCCCCC CCEEEEECCCCEEEEEEEEECCCCCCCEEEEEEEECCCCHHHHHHHHEEEECCCCCCEEEEEECCCCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Nov-06 01:40 UTC

Provided templates.

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

Cluster #12345678
Cluster density164.7164.6157.1116.372.265.245.443.1
Cluster size7070755635241515
Average cluster RMSD0.40.40.50.50.50.40.30.3

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 0.92 0.84 0.94 0.89 0.91 1.08 0.91
2 0.92 0.00 0.75 0.80 1.08 0.80 0.96 0.86
3 0.84 0.75 0.00 0.79 0.89 0.74 0.79 0.82
4 0.94 0.80 0.79 0.00 0.97 0.93 0.96 1.05
5 0.89 1.08 0.89 0.97 0.00 1.02 1.01 1.09
6 0.91 0.80 0.74 0.93 1.02 0.00 0.92 0.82
7 1.08 0.96 0.79 0.96 1.01 0.92 0.00 1.00
8 0.91 0.86 0.82 1.05 1.09 0.82 1.00 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 0.97 0.97 0.97 0.97 0.96 0.94 0.96
2 0.97 1.00 0.97 0.98 0.95 0.96 0.94 0.95
3 0.97 0.97 1.00 0.98 0.98 0.97 0.97 0.96
4 0.97 0.98 0.98 1.00 0.96 0.95 0.95 0.94
5 0.97 0.95 0.98 0.96 1.00 0.96 0.97 0.95
6 0.96 0.96 0.97 0.95 0.96 1.00 0.93 0.95
7 0.94 0.94 0.97 0.95 0.97 0.93 1.00 0.94
8 0.96 0.95 0.96 0.94 0.95 0.95 0.94 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