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Status: Done started: 2016-Oct-28 13:43:43 UTC
Project Name4gzs9
SequenceAEYRNWSKPQCNITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPDKCYQFALGQGTTLNNGHSNDTVHDRTPYRTLLMN ELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCVTGDDENATASFIYNGRLVDSIGSWSKKILRTQESECVCINGTCTVVM TDGSASGKADTKILFIEEGKIVNISTLSGSAQHVEECSCYPRYPGVRCVCRDNWKGSNRPIVDINVKDYSIVSSYVCSGL VGDTPRKNDSFSSSHCLDPNNEEGGHGVKGWAFDDGNDVWMGRTISEKLRSGYETFKVIEGWSKPNSKLQINRQVIVERG NRSGYSGIFSVEGKSCINRCFYVELIRGRKEETEVWWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI
Secondary structure

CCCCCCCCCCCCEEEECCCCCCCEEEEECCCCEEEECCCCEECCCCCEEEEECCCCEECCCCCCCCCCCCCCCHHHHHHH HCCCCEECCCEEEEEEECCCCCCCCCEEEEEEEECCCCCCEEEEEECCEEEECCCCHHHHHHHCCCCEEEEECCEEEEEE ECCCCCCCCCCEEEEEECCEEEEEEECCCCCCCCCCCCCCCCCCCCEEEECCCCCCCCCCEEEEEECCEEEEEEEEECCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEECCCCCEEEEHHHHHHHHCCCEEEEEEECCCCCCCCCEEEEEEEEECC CCCCCEEEEEEECCCCCCEEEEEEEECCCCCCEEEEEEECCEEEEECCCCCCCCCCCCCCCCCCCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Oct-29 03:38 UTC

Provided templates.

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

Cluster #123456789
Cluster density176.6138.5116.1113.287.182.572.960.056.9
Cluster size655149583342231524
Average cluster RMSD0.40.40.40.50.40.50.30.30.4

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 0.97 1.25 0.86 0.78 0.82 0.89 1.39 0.92
2 0.97 0.00 1.16 0.81 0.96 0.83 0.83 1.38 0.90
3 1.25 1.16 0.00 1.11 1.14 0.98 1.17 1.49 1.13
4 0.86 0.81 1.11 0.00 0.77 0.71 0.74 1.37 0.73
5 0.78 0.96 1.14 0.77 0.00 0.85 0.84 1.39 0.83
6 0.82 0.83 0.98 0.71 0.85 0.00 0.86 1.25 0.80
7 0.89 0.83 1.17 0.74 0.84 0.86 0.00 1.40 0.78
8 1.39 1.38 1.49 1.37 1.39 1.25 1.40 0.00 1.31
9 0.92 0.90 1.13 0.73 0.83 0.80 0.78 1.31 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 0.93 0.94 0.95 0.97 0.97 0.94 0.89 0.94
2 0.93 1.00 0.95 0.96 0.93 0.96 0.96 0.90 0.95
3 0.94 0.95 1.00 0.97 0.95 0.98 0.97 0.93 0.97
4 0.95 0.96 0.97 1.00 0.96 0.99 0.97 0.94 0.98
5 0.97 0.93 0.95 0.96 1.00 0.97 0.95 0.92 0.96
6 0.97 0.96 0.98 0.99 0.97 1.00 0.97 0.93 0.98
7 0.94 0.96 0.97 0.97 0.95 0.97 1.00 0.91 0.97
8 0.89 0.90 0.93 0.94 0.92 0.93 0.91 1.00 0.93
9 0.94 0.95 0.97 0.98 0.96 0.98 0.97 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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