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Status: Done started: 2015-Nov-13 09:20:45 UTC
Project NameSO_test
SequenceMSLVSHLFPKPSVFSNISLLCHGHRLGLVRRRSTLLIRRHPPASFTSLPSPLPAHSRHGRRKLSMDSASPEVSASVDSVA EGLKNQSLNNDDRVDGGSSINHATKKKLEDLNWDNSFVRELPGDPRTDIIPREVLHACYSKVLPSVEVQSPQLVAWSESV ADLLDLDPQEFERPDFPLLFSGASPLVGASPYAQCYGGHQFGMWAGQLGDGRAITLGEILNSRSERWELQLKGAGKTPYS RFADGLAVLRSSIREFLCSEAMHSLGIPTTRALCLLTTGTFVTRDMFYDGNPKEEPGAIVCRVAQSFLRFGSYQIHASRG KDDFKIVRALADYVIRHHFPHLENMSSSQSVSFSTGNTDSSVVDLTSNKYAAWTVEVAERTASLIASWQGVGFTHGVLNT DNMSILGLTIDYGPFGFLDAFDPSFTPNTTDLPGRRYCFANQPDIGLWNIAQFASTLSAAELINDKEANYAMERYGDKFM DDYQAIMTKKIGLPKYNKQLISKLLNNMAVDKVDYTNFFRSLSNLKADPSIPEEELLVPLKAVLLDIGKERKEAWVSWVK TYMEELAGSGISDEERKASMDAVNPKYILRNYLCQTAIDAAEQGDFGEVRQLLKIMERPFDEQPGMEKYARLPPAWAYRP GVCMLSCSS
Secondary structure

CCCCCCCCCCCCCCCCCHHCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHH HCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEECHHH HHHCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCCCCCCCHHHHHHCCEECCCCCEEEEEECCCCCCCCC CCCCCCCHHCHHHHHHHHHHHHCCCCCHHHHHHHHCCCCCCEEEECCCCCCCCCCCCCEEEEECCCCCCCCCCCCCCCCC CCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHH HHHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCHHHHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHCHHHHHHHHHHHH HHHHHHHCCCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCC CCEEECCCC

Simulation (CABS) temperature3.5 - 1.0
Estimated finish time2015-Nov-13 22:15 UTC

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

Cluster #12345678
Cluster density59.316.414.69.97.24.03.72.7
Cluster size8567755325221914
Average cluster RMSD1.44.15.25.43.55.65.15.1

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 30.80 9.37 29.60 22.80 26.90 26.30 35.50
2 30.80 0.00 28.70 15.70 18.70 12.40 19.80 23.40
3 9.37 28.70 0.00 25.30 22.90 23.60 25.60 30.20
4 29.60 15.70 25.30 0.00 23.00 12.50 24.60 13.70
5 22.80 18.70 22.90 23.00 0.00 20.20 12.70 27.90
6 26.90 12.40 23.60 12.50 20.20 0.00 23.10 18.70
7 26.30 19.80 25.60 24.60 12.70 23.10 0.00 26.00
8 35.50 23.40 30.20 13.70 27.90 18.70 26.00 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 0.57 0.66 0.59 0.66 0.60 0.61 0.57
2 0.57 1.00 0.57 0.60 0.58 0.56 0.56 0.56
3 0.66 0.57 1.00 0.58 0.65 0.62 0.64 0.59
4 0.59 0.60 0.58 1.00 0.59 0.57 0.59 0.58
5 0.66 0.58 0.65 0.59 1.00 0.63 0.64 0.58
6 0.60 0.56 0.62 0.57 0.63 1.00 0.63 0.59
7 0.61 0.56 0.64 0.59 0.64 0.63 1.00 0.61
8 0.57 0.56 0.59 0.58 0.58 0.59 0.61 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