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Status: Done started: 2016-Nov-02 19:09:37 UTC
Project Name2bat72
SequenceVEYRNWSKPQCKITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLNNKHSNDTIHDRTPYRTLLMN ELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCVTGHDKNATASFIYDGRLVDSIGSWSKNILRTQESECVCINGTCTVVM TDGSASGRADTKILFIEEGKIVHISPLSGSAQHVEECSCYPRYPGVRCVCRDNWKGSNRPIVDINVKDYSIVSSYVCSGL VGDTPRKNDRSSSSYCRNPNNEKGNHGVKGWAFDDGNDVWMGRTIGEELRSGYETFKVIGGWSTPNSKLQINRQVIVDSD NRSGYSGIFSVEGKSCINRCFYVELIRGREQETRVLWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI
Secondary structure

CCCCCCCCCCCEEEEEECCCCCCEEEEECCCCEEEEECCEEEECCCCEEEEEECCCEECCCCCCCCCCCCCCCCHHHHHH CCCCCEECCCEEEEEEECCCCCCCCCEEEEEEEEECCCCCEEEEEECCEEEECCCHHHHHHHCCCCCEEEEECCEEEEEE ECCCCCCCCCCEEEEEECCCEEEECCCCCCCCCCCCCCCCCCCCCCEEEECCCCCCCCCCEEEEEEEEEEEEEEEEECCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEECCCCCEEEEEEECHHCCCCEEEEEEECCCCCCCCCCEEEEEEEEECC CCCCCEEEEEECCCCCCCEEEEEEEEECCCCCEEEEEEECCEEEEECCCCCCCCCCCCCCCCCCCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Nov-03 08:04 UTC

Provided templates.

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

Cluster #12345678
Cluster density216.5167.2144.0131.8118.167.257.657.6
Cluster size6270675142221828
Average cluster RMSD0.30.40.50.40.40.30.30.5

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 0.86 0.95 0.76 0.91 0.74 0.81 0.75
2 0.86 0.00 0.85 0.74 0.90 0.92 0.88 0.75
3 0.95 0.85 0.00 0.82 0.98 1.01 0.94 0.87
4 0.76 0.74 0.82 0.00 0.79 0.83 0.84 0.74
5 0.91 0.90 0.98 0.79 0.00 0.93 1.00 0.79
6 0.74 0.92 1.01 0.83 0.93 0.00 0.93 0.83
7 0.81 0.88 0.94 0.84 1.00 0.93 0.00 0.83
8 0.75 0.75 0.87 0.74 0.79 0.83 0.83 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 0.95 0.95 0.97 0.94 0.97 0.96 0.97
2 0.95 1.00 0.97 0.97 0.94 0.93 0.96 0.97
3 0.95 0.97 1.00 0.98 0.95 0.94 0.95 0.97
4 0.97 0.97 0.98 1.00 0.98 0.96 0.96 0.98
5 0.94 0.94 0.95 0.98 1.00 0.94 0.94 0.96
6 0.97 0.93 0.94 0.96 0.94 1.00 0.95 0.95
7 0.96 0.96 0.95 0.96 0.94 0.95 1.00 0.96
8 0.97 0.97 0.97 0.98 0.96 0.95 0.96 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