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Status: Done started: 2016-Oct-14 05:17:43 UTC
Project Name4we511
SequenceATLCLGHHAVPNGTIVKTITNDQIEVTNATELVQSSSTGGICDSPHQILDGENCTLIDALLGDPQCDGFQNKKWDLFVER SKAYSNCYPYDVPDHASLRSLVASSGTLEFNNESFDWTGVTQNGTSSACKRRSNKSFFSRLNWLTHLKYKYPALNVTMPN NEKFDKLYIWGVHHPGTDSDQISLYAQASGRITVSTKRSQQTVIPNIGSRPRVRDVSSRISIYWTIVKPGDILLINSTGN LIAPRGYFKIRSGKSSIMRSDAPIGKCNSECITPNGSIPNDKPFQNVNRITYGACPRYVKQNTLKLATGMRNVPEKQTRG IFGAIAGFIENGWEGMVDGWYGFRHQNSEGTGQAADLKSTQAAINQINGKLNRLIGKTNEKFHQIEKEFSEVEGRIQDLE KYVEDTKIDLWSYNAELLVALENQHTIDLTDSEMNKLFERTKKQLRENAEDMGNGCFKIYHKCDNACIGSIRNGTYDHDV YRDEALNNRFQ
Secondary structure

CCCCCCCCCCCCCCEEEEEECCEEEEECCCCEECCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCEEEEEE CCCCCCCCCCCCCCHHHHHHHHHCCCEEEEECCCCCEEECCCCCCCHHHHCCCCCCHHHHHHHHHHCCCCCCCCEEECCC CCCCCEEEEEECCCCCCCCCCEEEEEEECCCEEEEECCCCCEECCCCCCCCCCCCCCCCEEEEEEEEECCCEEEECCCCC EECCCCEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCHHHCCCCCCCCCCCCC HHHHHHHHHHCCCCCCCCCEECCEECCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCHHHHHHH HHHHCCCCCCCCCCHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCEEEEEEECCCCEEECCCCCCCCCCC CHHHHHHCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Oct-14 19:12 UTC

Provided templates.

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

Cluster #123456789
Cluster density172.9118.8104.2100.471.356.035.633.422.6
Cluster size855752334231242016
Average cluster RMSD0.50.50.50.30.60.60.70.60.7

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 0.60 0.57 0.64 1.03 1.11 0.85 0.98 0.75
2 0.60 0.00 0.60 0.63 0.99 0.97 0.62 0.76 0.67
3 0.57 0.60 0.00 0.68 1.11 1.06 0.77 0.90 0.66
4 0.64 0.63 0.68 0.00 1.00 1.02 0.85 0.97 0.81
5 1.03 0.99 1.11 1.00 0.00 0.82 1.21 1.21 0.91
6 1.11 0.97 1.06 1.02 0.82 0.00 1.12 1.08 0.84
7 0.85 0.62 0.77 0.85 1.21 1.12 0.00 0.67 0.82
8 0.98 0.76 0.90 0.97 1.21 1.08 0.67 0.00 0.86
9 0.75 0.67 0.66 0.81 0.91 0.84 0.82 0.86 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 0.99 0.98 0.98 0.98 0.97 0.98 0.97 0.98
2 0.99 1.00 0.98 0.98 0.98 0.98 0.99 0.98 0.98
3 0.98 0.98 1.00 0.97 0.97 0.98 0.97 0.97 0.98
4 0.98 0.98 0.97 1.00 0.97 0.98 0.97 0.97 0.97
5 0.98 0.98 0.97 0.97 1.00 0.97 0.98 0.97 0.98
6 0.97 0.98 0.98 0.98 0.97 1.00 0.98 0.97 0.98
7 0.98 0.99 0.97 0.97 0.98 0.98 1.00 0.98 0.98
8 0.97 0.98 0.97 0.97 0.97 0.97 0.98 1.00 0.97
9 0.98 0.98 0.98 0.97 0.98 0.98 0.98 0.97 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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