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Status: Done started: 2016-Oct-13 14:44:25 UTC
Project Name4m4057
SequenceDRICTGITSSNSPHVVKTATQGEVNVTGAIPLTTTPTKSYFANLKGTRTRGKLCPDCLNCTDLDVALGRPMCVGTTPSAK ASILHEVRPVTSGCFPIMHDRTKIRQLPNLLRGYENIRLSTQNVIDAEKAPGGPYRLGTSGSCPNATSKIGFFATMAWAV PKDNYKNATNPLTVEVPYICTEGEDQITVWGFHSDNKTQMKNLYGDSNPQKFTSSANGVTTHYVSQIGDFPDQTEDGGLP QSGRIVVDYMVQKPGKTGTIVYQRGVLLPQKVWCASGRSKVIKGSLPLIGEADCLHEKYGGLNKSKPYYTGEHAKAIGNC PIWVKTPLKLANGTKYRPPAKLLKERGFFGAIAGFLEGGWEGMIAGWHGYTSHGAHGVAVAADLKSTQEAINKITKNLNS LSELEVKNLQRLSGAMDELHNEILELDEKVDDLRADTISSQIELAVLLSNEGIINSEDEHLLALERKLKKMLGPSAVDIG NGCFETKHKCNQTCLDRIAAGTFNAGEFSLPTFDSLNI
Secondary structure

CCCCCCCCCCCCCCEEEECCCCEEEEEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHCCCCCCCCCCCCCCC CCEEEECCCCCCCCCCCCCCCHHHCCCCCCCCCCCCEEEECCCCCCCCCCCCCCEECCCCCCCCCCCCCCCCEEEEEEEE CCCCCCCCCCCEEEEEEEEECCCCCEEEEEEEECCCHHHHHHHCCCCCCCCCCCCCCCCEEEEEECCCCCCCCCCCCCCC CCCEEEEEEEEECCCCEEEEEEEECCCCCCEEEECCCCCEEEECCCCCCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCC CEEEECCEECCCCCCCCCCHHHHHHCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCEEEEECCHHHHHHHHHHHHCCCC CCHHHHHHHHHHCCCHHHHHHHHHHHHHHCCCCCCCCCCCCEEEEEEECCCCCCCCCCHHHHHHHHHHHHHCCCCEEECC CCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Oct-14 04:39 UTC

Provided templates.

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

Cluster #12345678
Cluster density135.3114.179.976.356.547.730.426.4
Cluster size6481604739322116
Average cluster RMSD0.50.70.80.60.70.70.70.6

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.

#12345678
1 0.00 1.43 2.08 1.50 2.16 2.16 2.73 1.27
2 1.43 0.00 1.88 1.33 2.03 2.72 2.70 1.20
3 2.08 1.88 0.00 1.38 1.91 2.36 1.39 1.61
4 1.50 1.33 1.38 0.00 1.51 2.51 2.04 1.08
5 2.16 2.03 1.91 1.51 0.00 3.18 2.48 1.50
6 2.16 2.72 2.36 2.51 3.18 0.00 2.52 2.63
7 2.73 2.70 1.39 2.04 2.48 2.52 0.00 2.40
8 1.27 1.20 1.61 1.08 1.50 2.63 2.40 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.

#12345678
1 1.00 0.97 0.96 0.97 0.95 0.97 0.96 0.97
2 0.97 1.00 0.97 0.97 0.96 0.97 0.97 0.97
3 0.96 0.97 1.00 0.96 0.96 0.97 0.97 0.97
4 0.97 0.97 0.96 1.00 0.96 0.97 0.97 0.97
5 0.95 0.96 0.96 0.96 1.00 0.96 0.96 0.96
6 0.97 0.97 0.97 0.97 0.96 1.00 0.97 0.97
7 0.96 0.97 0.97 0.97 0.96 0.97 1.00 0.97
8 0.97 0.97 0.97 0.97 0.96 0.97 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.


 

© Laboratory of Theory of Biopolymers 2013