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Status: Done started: 2018-Mar-21 03:39:47 UTC
Project Namebr98
SequenceMRCIGISNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTESRCPTQGEP SLNEEQDKRFICKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKVVLPENLEYTIVITPHSGEEHAVGNDTGKHGK EIKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMEEKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTF KNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKIVKEIAETQHGTI VIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLNWFKKGSSIGQ MFE
Secondary structure

CEEECCCCCCCCCCCCCCCEEEEEEECCCEEEEECCCCCCCCEEEEECCCCCCHHHHHHEEEEEECCCCCCCCCCCCCCC CCCHHCCCEEEECCCCCCCCCCCCCCCCCCCCEEEEEEEEEECCCCCEEECCCCCEEEEEECCCCCCCCCCCCCCCCCCC EEEECCCCCCCEEEEEECEEEEEEECCCCCCCCCCHHHHHCCHHEEEEEEEHHCCCCCCCCCCCCCCCCCCEEEEEEEEE CCCCCCCCCEEEEECCCCHHHHHCCCCEEEEEECCCEEEEEEEEEEEECCCCEECCCEEEEECCCEEEEHHHHHCCCEEE EEEEEECCCCCCCCCCEEECCCCCCEEEEEEEEECCEECCCCCCCEEECCCCCCCCEEEEEECCCCEEEEEEECCCCCCC CCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2018-Mar-21 16:34 UTC

Provided templates.

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

Cluster #123456789
Cluster density170.3157.328.017.915.813.19.97.93.0
Cluster size1211173316212017123
Average cluster RMSD0.70.71.20.91.31.51.71.51.0

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 1.20 1.95 2.03 2.74 2.05 1.80 5.58 3.20
2 1.20 0.00 2.66 1.62 2.99 1.67 2.07 5.55 3.65
3 1.95 2.66 0.00 2.68 2.39 2.71 2.43 5.65 2.49
4 2.03 1.62 2.68 0.00 2.70 1.14 2.48 5.60 3.62
5 2.74 2.99 2.39 2.70 0.00 3.05 3.56 6.54 1.64
6 2.05 1.67 2.71 1.14 3.05 0.00 2.24 5.36 3.92
7 1.80 2.07 2.43 2.48 3.56 2.24 0.00 4.84 4.17
8 5.58 5.55 5.65 5.60 6.54 5.36 4.84 0.00 7.21
9 3.20 3.65 2.49 3.62 1.64 3.92 4.17 7.21 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 0.96 0.96 0.95 0.96 0.94 0.90 0.94
2 0.96 1.00 0.95 0.95 0.92 0.94 0.93 0.90 0.93
3 0.96 0.95 1.00 0.95 0.95 0.95 0.94 0.91 0.94
4 0.96 0.95 0.95 1.00 0.94 0.95 0.93 0.88 0.92
5 0.95 0.92 0.95 0.94 1.00 0.94 0.94 0.92 0.94
6 0.96 0.94 0.95 0.95 0.94 1.00 0.93 0.91 0.93
7 0.94 0.93 0.94 0.93 0.94 0.93 1.00 0.89 0.93
8 0.90 0.90 0.91 0.88 0.92 0.91 0.89 1.00 0.90
9 0.94 0.93 0.94 0.92 0.94 0.93 0.93 0.90 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