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Status: Done started: 2017-Feb-28 18:56:48 UTC
Project NameN1_27
SequenceVTLAGNSSLCSISGWAIYTKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCP LGEAPSPYNSKFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITGTIKSWKKQILRTQESECVCMNGSCFTIM TDGPSNKAASYKIFKIEKGKVTKSIELNAPNFYYEECSCYPDTGIVMCVCRDNWHGSNRPWVSFNQNLDYQIGYICSGVF GDNPRPEDGEGSCNPVTVDGANGVKGFSYKYGNGVWIGRTKSNRLRKGFEMIWDPNGWTNTDSDFSVKQDVVAITDWSGY SGSFVQHPELTGLDCIRPCFWVELVRGLPRENTTIWTSGSSISFCGVNSDTANWSWPDGAELPFTIDK
Secondary structure

CCCCCCCCCCEEECEEEEECCCCEEECCCCCEEEEECCCEECCCCEEEEEEEECCCCCCCCCCCCCCCCCCCCCEECCCC CCCCCCCCCCCCCEEEEECCCCCCCCCEEEEEEECCCCCEEEEEEECCEEEEEHHHHHHHHHHCCCCEEEEECCCEEEEE ECCCCCCCCCEEEEEEECCEEEEEEEECCCCEEEECCCCCCCCCEEEEEECCCCCCCCCCCEECCCCCCEEEEEEEECCC CCCCCCCCCCCCCCCEEECCCCCCCCEEEEECCEEEEEEECCCCCCCCCEEEECCCCCCCCCCCCCEEECEEEEEECCCC CCCCCCCCCCCCCCCCCCHHHEEHHHCCCCCCCEEEECCCEEEEEEECCCCCCCCCCCCCCCCCEECC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2017-Mar-01 07:51 UTC

Provided templates.

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

Cluster #123456789
Cluster density380.1155.1114.298.679.565.152.644.543.0
Cluster size1036445452920181719
Average cluster RMSD0.30.40.40.50.40.30.30.40.4

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 1.17 1.20 1.08 5.22 1.21 1.06 1.18 1.19
2 1.17 0.00 0.78 0.73 5.39 0.76 0.81 0.86 0.88
3 1.20 0.78 0.00 0.78 5.43 0.81 0.82 0.84 0.92
4 1.08 0.73 0.78 0.00 5.40 0.81 0.73 0.83 0.91
5 5.22 5.39 5.43 5.40 0.00 5.43 5.33 5.45 5.45
6 1.21 0.76 0.81 0.81 5.43 0.00 0.81 0.82 0.91
7 1.06 0.81 0.82 0.73 5.33 0.81 0.00 0.85 0.88
8 1.18 0.86 0.84 0.83 5.45 0.82 0.85 0.00 1.06
9 1.19 0.88 0.92 0.91 5.45 0.91 0.88 1.06 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 0.94 0.94 0.93 0.91 0.94 0.95 0.94 0.94
2 0.94 1.00 0.96 0.97 0.91 0.97 0.96 0.94 0.97
3 0.94 0.96 1.00 0.96 0.89 0.96 0.96 0.96 0.95
4 0.93 0.97 0.96 1.00 0.91 0.96 0.97 0.96 0.96
5 0.91 0.91 0.89 0.91 1.00 0.91 0.92 0.91 0.91
6 0.94 0.97 0.96 0.96 0.91 1.00 0.96 0.96 0.97
7 0.95 0.96 0.96 0.97 0.92 0.96 1.00 0.95 0.96
8 0.94 0.94 0.96 0.96 0.91 0.96 0.95 1.00 0.95
9 0.94 0.97 0.95 0.96 0.91 0.97 0.96 0.95 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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