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Status: Done started: 2016-Dec-26 23:33:43 UTC
Project Name4gto25
SequenceMRCVGIGNRDFVEGLSGATWVDVVLEHGSCVTTMAKNKPTLDIELLKTEVTNPAVLRKLCIEAKISNTTTDSRCPTQGEA TLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFKCVTKLEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGT IATITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKEKSWLVHKQWFLDLPLPWTSGASTSQETWNRQDLLVTF KTAHAKKQEVVVLGSQEGAMHTALTGATEIQTSGTTTIFAGHLKCRLKMDKLTLKGTSYVMCTGSFKLEKEVAETQHGTV LVQVKYEGIDAPCKIPFSTQDEKGVTQNGRLITANPIVTDKEKPVNIETEPPFGESYIVVGAGEKALKLSWFKKGSSIGK MFEATARGARRMAILGDTAWDFGSIGGVFTSVGKLVHQVLGTAYGVLFSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCI AVGMVTLYLGVMVQA
Secondary structure

CEEECCCCCCCCCCCCCCEEEEEEEECCCEEEEECCCCCCCCEEEECCCCCCHHHHHHHHEEEEECCCCCCCCCCCCCCE EEEEECCCCEEEEEEEECCCCCCCCCCCCCCCEEEEEEEEEEEEECCEEEEEECCEEEEEEEEECCCCCCCCCCCCCCEE EEEECCCCCCCCEEEECCCEEEEECCCCCCCCCCCEEEEEEECCEEEEEEEEECCCCCCCCCCCCCCCCCCCCCCEEEEE ECCCCCCEEEEEEECCCCCHHHCCCCCEEEEECCEEEEEECEEEEEEECCEEEEECEEEEEEECCCEEHHHHHHCCCCEE EEEEEEECCCCCCCCCCCCCCCCCCCCCCEEEECCCCCCCCCCCCCCCCCCCCCCEEEEECCCCCEEEEEEECCCCCHHH HHHHHHCCCCEEEEECCCCCCCCCCCCEEEHHHHHHHHHHHCEEEEEECCCEEEEEEEHHHHHHHHCCCCCCCCEEEEEE EEEHHEEEEEEEEEC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Dec-27 12:28 UTC

Provided templates.

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

Cluster #123456
Cluster density118.563.713.08.45.23.6
Cluster size1319150373417
Average cluster RMSD1.11.43.84.46.64.7

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.

#123456
1 0.00 9.10 17.50 16.40 12.80 18.20
2 9.10 0.00 15.30 19.00 15.80 19.90
3 17.50 15.30 0.00 19.00 24.60 22.20
4 16.40 19.00 19.00 0.00 23.40 11.10
5 12.80 15.80 24.60 23.40 0.00 26.90
6 18.20 19.90 22.20 11.10 26.90 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.

#123456
1 1.00 0.80 0.80 0.78 0.80 0.79
2 0.80 1.00 0.79 0.78 0.78 0.79
3 0.80 0.79 1.00 0.80 0.79 0.79
4 0.78 0.78 0.80 1.00 0.78 0.79
5 0.80 0.78 0.79 0.78 1.00 0.79
6 0.79 0.79 0.79 0.79 0.79 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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