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Status: Done started: 2016-Nov-02 01:02:27 UTC
Project Name2bat59
SequenceVEYRNWSKPQCKITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLNNRHSNDTVHDRTPYRTLLMN ELGVPFHLGTKQVCIAWSSSSCHDGKAWLHVCVTGHDKNATASFIYDGRLVDSIGSWSKNILRTQESECVCINGTCTVVM TDGSASERADTKILFIEEGKIVHISPLSGSAQHVEECSCYPRYPGVRCVCRDNWKGSNRPIVDINVKDYSIVSSYVCSGL VGDTPRKNDRSSSSYCRNPNNEKGSHGVKGWAFDDGNDVWMGRTISEELRSGYETFKVIGGWSTPNSKLQINRQVIVDSG NRSGYSGIFSVEGKSCINRCFYVELIRGREQETRVWWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI
Secondary structure

CCCCCCCCCCCEEEEEECCCCCCEEEEECCCCEEEEECCEEEECCCCEEEEEECCCCCCCCCCCCCCCCCCCCCHHHHHH CCCCCEECCCEEEEEEECCCCCCCCCEEEEEEEEECCCCCEEEEEECCEEEECCCCCCHHHHCCCCCEEEEECCEEEEEE ECCCCCCCCCCEEEEEECCCEEEECCCCCCCCCCCCCCCCCCCCCCEEEECCCCCCCCCCEEEEEECCEEEEEEEEECCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEECCCCCEEEECCCCHHHHCCEEEEEEEECCCCCCCCCEEEEEEEEECC CCCCCEEEEEEECCCCCCEEEEEEEEECCCCCEEEEEEECCEEEEECCCCCCCCCCCCCCCCCCCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Nov-02 13:57 UTC

Provided templates.

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

Cluster #123456789
Cluster density170.6122.6118.1108.192.191.583.773.046.9
Cluster size844041373736383017
Average cluster RMSD0.50.30.30.30.40.40.50.40.4

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.

#123456789
1 0.00 0.80 0.77 0.65 0.83 0.75 0.95 0.90 0.76
2 0.80 0.00 0.92 0.79 0.97 0.91 0.95 0.93 1.02
3 0.77 0.92 0.00 0.79 0.95 0.86 0.96 1.00 0.93
4 0.65 0.79 0.79 0.00 0.93 0.87 1.00 0.94 0.94
5 0.83 0.97 0.95 0.93 0.00 1.02 0.93 0.99 1.00
6 0.75 0.91 0.86 0.87 1.02 0.00 1.01 1.05 1.09
7 0.95 0.95 0.96 1.00 0.93 1.01 0.00 0.85 0.97
8 0.90 0.93 1.00 0.94 0.99 1.05 0.85 0.00 1.01
9 0.76 1.02 0.93 0.94 1.00 1.09 0.97 1.01 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 0.98 0.97 0.98 0.97 0.98 0.98 0.97 0.97
2 0.98 1.00 0.94 0.96 0.95 0.94 0.96 0.94 0.93
3 0.97 0.94 1.00 0.97 0.96 0.95 0.96 0.93 0.94
4 0.98 0.96 0.97 1.00 0.96 0.95 0.97 0.95 0.94
5 0.97 0.95 0.96 0.96 1.00 0.94 0.97 0.95 0.94
6 0.98 0.94 0.95 0.95 0.94 1.00 0.95 0.92 0.92
7 0.98 0.96 0.96 0.97 0.97 0.95 1.00 0.96 0.96
8 0.97 0.94 0.93 0.95 0.95 0.92 0.96 1.00 0.93
9 0.97 0.93 0.94 0.94 0.94 0.92 0.96 0.93 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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