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Status: Done started: 2016-Oct-28 13:50:11 UTC
Project Name3tia1
SequenceVEYRSWSKPQCKITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTIHDRIPHRTLLMN ELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCVTGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVM TDGSASGRADTRILFIEEGKIVHISPLSGSAQHVEECSCYPRYPDVRCICRDNWKGSNRPIVDINMEDYSIDSSYVCSGL VGDTPRNDDRSSNSNCRNPNNERGNQGVKGWAFDNGDDVWMGRTISKDLRSGYETFKVIGGWSTPNSKSQINRQVIVDSD NRSGYSGIFSVEGKSCINRCFYVELIRGRKQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI
Secondary structure

CCCCCCCCCCCEEEEECCCCCCCEEEEECCCCEEEEECCEEEECCCCEEEEECCCCCCCCCCCCCCCCCCCCCCCHHHHH CCCCCEECCCEEEEEEECCCCCCCCCEEEEEEEECCCCCCEEEEEECCEEEECCCHHHHHHHCCCCCEEEEECCEEEEEE ECCCCCCCCCCEEEEEECCCEEEECCCCCCCCCCCCCCCCCCCCCCEEEECCCCCCCCCCEEEEECCCEEECCCEEECCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEECCCCCEEEEEEECCCCCCCEEEEEEECCCCCCCCCCCCCEEEEEECC CCCCCEEEEEEECCCCCEEEEEEEEEECCCCCEEEEEEECCEEEEECCCCCCCCCCCCCCCCCCCEEC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Oct-29 03:45 UTC

Provided templates.

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

Cluster #123456789
Cluster density182.4145.6131.8122.7106.8102.687.350.244.9
Cluster size504251404348422321
Average cluster RMSD0.30.30.40.30.40.50.50.50.5

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.

#123456789
1 0.00 0.76 0.87 0.77 0.91 0.81 0.94 0.79 0.86
2 0.76 0.00 0.94 0.83 0.87 0.81 0.97 0.73 0.75
3 0.87 0.94 0.00 0.79 0.97 0.91 0.88 0.85 0.86
4 0.77 0.83 0.79 0.00 0.85 0.70 0.88 0.72 0.73
5 0.91 0.87 0.97 0.85 0.00 0.70 0.84 0.76 0.72
6 0.81 0.81 0.91 0.70 0.70 0.00 0.88 0.70 0.67
7 0.94 0.97 0.88 0.88 0.84 0.88 0.00 0.94 0.87
8 0.79 0.73 0.85 0.72 0.76 0.70 0.94 0.00 0.66
9 0.86 0.75 0.86 0.73 0.72 0.67 0.87 0.66 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 0.95 0.97 0.94 0.96 0.94 0.97 0.95
2 0.98 1.00 0.95 0.96 0.96 0.96 0.96 0.97 0.97
3 0.95 0.95 1.00 0.97 0.93 0.95 0.95 0.97 0.96
4 0.97 0.96 0.97 1.00 0.96 0.97 0.96 0.97 0.97
5 0.94 0.96 0.93 0.96 1.00 0.98 0.97 0.97 0.98
6 0.96 0.96 0.95 0.97 0.98 1.00 0.97 0.98 0.98
7 0.94 0.96 0.95 0.96 0.97 0.97 1.00 0.97 0.98
8 0.97 0.97 0.97 0.97 0.97 0.98 0.97 1.00 0.98
9 0.95 0.97 0.96 0.97 0.98 0.98 0.98 0.98 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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