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Status: Done started: 2018-Mar-12 12:03:33 UTC
Project Namevnas1
SequenceMRCIGISNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTESRCPTQGEP SLKEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTIVVTPHSGEEHAVGNDTGKHGK EIKVTPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMENKAWLVHRQWFLDLPLPWLPGADKQESNWIQKETLVTF KNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTI VIRVQYEGDGSPCKIPFEIMDLEKRYVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLNWFKKGSSIGQ MFE
Secondary structure

CEEECCCCCCCCCCCCCCCEEEEEEECCCEEEEECCCCCCCCEEEEECCCCCCHHHHHHEEEEEECCCCCCCCCCCCCCC CCHHCCCCEEEEECCEECCCCCCCCCCCCCCCEEEEEEEEEECCCCCCCCCCCCCEEEEEECCCCCCCCCCCCCCCCCCC EEEECCCCCCEEEEEEECEEEEEEECCCCCCCCCCEEEEEECCCEEEEEEEECCCCCCCCCCCCCCCCCCCEEEEEEEEE CCCCCCCCCEEEEECCCCHHHHHCCCCEEEEEECCCEEEEEEEEEEEECCCCEECCCEEEEECCCEEEEHHHHHCCCEEE EEEEEECCCCCCCCCCEEECCCCEEEEEEEEEEECCEECCCCCCCEEECCCCCCCCEEEEEECCCCEEEEEEECCCCCCC CCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2018-Mar-13 00:58 UTC

Provided templates.

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

Cluster #123456789
Cluster density267.2169.897.293.287.881.977.858.740.0
Cluster size1007522253426362913
Average cluster RMSD0.40.40.20.30.40.30.50.50.3

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 1.24 0.80 0.98 0.97 0.73 0.71 0.79 0.81
2 1.24 0.00 1.24 1.25 1.23 1.17 1.22 1.33 1.17
3 0.80 1.24 0.00 1.01 1.03 0.82 0.74 0.91 0.94
4 0.98 1.25 1.01 0.00 0.99 0.99 0.97 1.17 0.96
5 0.97 1.23 1.03 0.99 0.00 1.06 1.00 1.08 0.90
6 0.73 1.17 0.82 0.99 1.06 0.00 0.84 0.89 0.89
7 0.71 1.22 0.74 0.97 1.00 0.84 0.00 0.82 0.95
8 0.79 1.33 0.91 1.17 1.08 0.89 0.82 0.00 0.99
9 0.81 1.17 0.94 0.96 0.90 0.89 0.95 0.99 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 0.95 0.91 0.94 0.96 0.97 0.96 0.96
2 0.96 1.00 0.95 0.93 0.94 0.96 0.96 0.94 0.95
3 0.95 0.95 1.00 0.90 0.92 0.95 0.97 0.93 0.93
4 0.91 0.93 0.90 1.00 0.91 0.92 0.92 0.89 0.92
5 0.94 0.94 0.92 0.91 1.00 0.92 0.93 0.92 0.94
6 0.96 0.96 0.95 0.92 0.92 1.00 0.95 0.94 0.94
7 0.97 0.96 0.97 0.92 0.93 0.95 1.00 0.95 0.93
8 0.96 0.94 0.93 0.89 0.92 0.94 0.95 1.00 0.93
9 0.96 0.95 0.93 0.92 0.94 0.94 0.93 0.93 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