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Status: Done started: 2016-Oct-14 08:19:21 UTC
Project Name4we5_15
SequenceATLCLGHHAVPNGTIVKTITNDQIEVTNATELVQSSSTGEICDSPHQILDGENCTLIDALLGDPQCDGFQNKKWDLFVER SKAYSNCYPYDVPDYASLRSLVASSGTLEFNNESFNWTGVTQNGTSSACIRRSNSSFFSRLNWLTHLNFKYPALNVTMPN NEQFDKLYIWGVHHPGTDKDQIFLYAQSSGRITVSTKRSQQAVIPNIGSRPRIRNIPSRISIYWTIVKPGDILLINSTGN LIAPRGYFKIRSGKSSIMRSDAPIGKCNSECITPNGSIPNDKPFQNVNRITYGACPRYVKQSTLKLATGMRNVPEKQTRG IFGAIAGFIENGWEGMVDGWYGFRHQNSEGRGQAADLKSTQAAIDQINGKLNRLIGKTNEKFHQIEKEFSEVEGRIQDLE KYVEDTKIDLWSYNAELLVALENQHTIDLTDSEMNKLFEKTKKQLRENAEDMGNGCFKIYHKCDNACIGSIRNGTYNHDV YRDEALNNRFQ
Secondary structure

CCCCCCCCCCCCCCEEEEEECCEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCEEEEEE CCCCCCCCCCCCCCHHHHHHHHHCCCEEEEECCCCEEEEEECCCCCCCEEECCCCCHHHCCCCCHHCCCCCCCCEEECCC CCCCCEEEEEECCCCCCCCCCEEEEEEECCCEEEEECCCCCCCCCCCCCCCCCCCCCCCEEEEEEEEECCCEEEECCCCC EECCCCEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCHHHHCCCCCCCCCCCCC HHHHHHHHHHCCCCCCCCCEECCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCHHHHHHH HHHHCCCCCCCCCCHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCEEEEEEECCCCEEECCCCCCCCCCC CHHHHHHCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Oct-14 22:14 UTC

Provided templates.

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

Cluster #123456789
Cluster density214.2176.9106.352.639.535.929.224.323.7
Cluster size968554302719181813
Average cluster RMSD0.40.50.50.60.70.50.60.70.5

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 0.94 1.43 1.23 4.50 1.22 1.18 1.42 1.02
2 0.94 0.00 1.41 1.18 4.61 1.36 1.07 1.32 1.02
3 1.43 1.41 0.00 0.94 4.79 0.91 1.17 1.99 0.93
4 1.23 1.18 0.94 0.00 4.97 0.99 0.76 1.86 0.81
5 4.50 4.61 4.79 4.97 0.00 4.61 4.87 4.28 4.76
6 1.22 1.36 0.91 0.99 4.61 0.00 1.11 1.74 0.91
7 1.18 1.07 1.17 0.76 4.87 1.11 0.00 1.55 0.84
8 1.42 1.32 1.99 1.86 4.28 1.74 1.55 0.00 1.54
9 1.02 1.02 0.93 0.81 4.76 0.91 0.84 1.54 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 0.96 0.94 0.94 0.92 0.94 0.95 0.94 0.95
2 0.96 1.00 0.94 0.96 0.94 0.95 0.96 0.94 0.96
3 0.94 0.94 1.00 0.97 0.94 0.96 0.97 0.94 0.95
4 0.94 0.96 0.97 1.00 0.96 0.98 0.99 0.95 0.98
5 0.92 0.94 0.94 0.96 1.00 0.95 0.96 0.95 0.95
6 0.94 0.95 0.96 0.98 0.95 1.00 0.98 0.96 0.98
7 0.95 0.96 0.97 0.99 0.96 0.98 1.00 0.95 0.98
8 0.94 0.94 0.94 0.95 0.95 0.96 0.95 1.00 0.96
9 0.95 0.96 0.95 0.98 0.95 0.98 0.98 0.96 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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