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Status: Done started: 2017-Nov-07 04:26:17 UTC
Project Nameperu12_2010
SequenceATLCLGHHAVPNGTIVKTITNDQIEVTNATELVQNSSTGEICDSPHQILDGENCTLIDALLGDPQCDGFQNKKWDLFVER SKAYSNCYPYDVPDYASLRSLIASSGTLEFNNESFNWTGVTQNGTSSACIRRSNNSFFSRLNWLTHLNFKYPALNVTMPN NEQFDKLYIWGVHHPGTDKDQIFLYAQASGRITVSTKRSQQAVIPNIGSRPRVRNIPSRISIYWTIVKPGDILLINSTGN LIAPRGYFKIRSGKSSIMRSDAPIGKCNSECITPNGSIPNDKPFQNVNRITYGACPRYVKQNTLKLATGMRNVPEKQTRG IFGAIAGFIENGWEGMVDGWYGFRHQNSEGRGQAADLKSTQAAIDQINGNLNRLIGKTNEKFHQIEKEFSEVEGRIQDLE KYVEDTKIDLWSYNAELLVALENQHTIDLTDSEMNKLFEKTKKQLRENAEDMGNGCFKIYHKCDNACIGSIRNGTYDHDV YRDEALNNRFQIKGVELKSGYKDWILWISFAISCFLLCVALLGFIMWACQKGNIRCNICI
Secondary structure

CCCCCCCCCCCCCCEEEEEECCEEEEECCHHHCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCEEEEEE CCCCCCCCCCCCCCHHHHHHHHHCCCEEEEECCCCEEEEEECCCCCCCEEEECCCCHHHCCCCCCCCCCCCCCCEEECCC CCCCCEEEEEECCCCCCCCCCEEEEEEECCCEEEEECCCCCCCCCCCCCCCCCCCCCCCEEEEEEEEECCCEEEECCCCC EECCCCEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCHHCCCCCCCCCCCCCC HHHHHHHHHHCCCCCCCCCEECCCCCCCCCCCCCCCCHHHHHHHHHHHCCCHHHCCCCHHHHHHHHHHHHHCCHHHHHHH HHHHCCCCCCCCCCHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCEEEEEEECCCCEEECCCCCCCCCCC CHHHHCCCCCEEEEEEECCCCCCEEEHHHHHHHHHHHHHHHHHHHHHHHHCCCEEEEECC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2017-Nov-07 17:21 UTC

Provided templates.

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

Cluster #123456789
Cluster density37.225.719.616.815.411.710.89.47.1
Cluster size656672211532372626
Average cluster RMSD1.72.63.71.21.02.73.42.83.7

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 7.67 7.25 9.91 5.11 7.85 4.17 10.90 3.52
2 7.67 0.00 3.22 8.69 8.95 8.44 8.67 6.17 7.23
3 7.25 3.22 0.00 8.84 8.48 7.49 8.06 6.71 6.59
4 9.91 8.69 8.84 0.00 11.00 10.90 8.94 5.64 10.60
5 5.11 8.95 8.48 11.00 0.00 7.24 5.95 12.30 5.58
6 7.85 8.44 7.49 10.90 7.24 0.00 9.32 11.00 9.13
7 4.17 8.67 8.06 8.94 5.95 9.32 0.00 10.60 4.19
8 10.90 6.17 6.71 5.64 12.30 11.00 10.60 0.00 10.70
9 3.52 7.23 6.59 10.60 5.58 9.13 4.19 10.70 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 0.88 0.88 0.87 0.87 0.88 0.90 0.88 0.89
2 0.88 1.00 0.90 0.88 0.89 0.89 0.89 0.88 0.90
3 0.88 0.90 1.00 0.86 0.89 0.88 0.88 0.88 0.87
4 0.87 0.88 0.86 1.00 0.86 0.87 0.88 0.87 0.87
5 0.87 0.89 0.89 0.86 1.00 0.86 0.87 0.88 0.88
6 0.88 0.89 0.88 0.87 0.86 1.00 0.89 0.87 0.87
7 0.90 0.89 0.88 0.88 0.87 0.89 1.00 0.89 0.89
8 0.88 0.88 0.88 0.87 0.88 0.87 0.89 1.00 0.88
9 0.89 0.90 0.87 0.87 0.88 0.87 0.89 0.88 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