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Status: Done started: 2017-Sep-06 15:58:03 UTC
Project Namemeprin_alpha_consensus_CABS
SequenceMAWIRSTCILFFTLLFAHIAAVPIKYLPEENVHDADFGEQKDISEINLAAGLDLFQGDILLQKSRNGLRDPNTRWTFPIP YILADNLGLNAKGAILYAFEMFRLKSCVDFKPYEGESSYIIFQQFDGCWSEVGDQHVGQNISIGQGCAYKAIIEHEILHA LGFYHEQSRTDRDDYVNIWWDQILSGYQHNFDTYDDSLITDLNTPYDYESLMHYQPFSFNKNASVPTITAKIPEFNSIIG QRLDFSAIDLERLNRMYNCTTTHTLLDHCTFEKANICGMIQGTRDDTDWAHQDSAQAGEVDHTLLGQCTGAGYFMQFSTS SGSAEEAALLESRILYPKRKQQCLQFFYKMTGSPSDRLVVWVRRDDSTGNVRKLVKVQTFQGDDDHNWKIAHVVLKEEQK FRYLFQGTKGDPQNSTGGIYLDDITLTETPCPTGVWTVRNFSQVLENTSKGDKLQSPRFYNSEGYGFGVTLYPNSRESSG YLRLAFHVCSGENDAILEWPVENRQVIITILDQEPDVRNRMSSSMVFTTSKSHTSPAINDTVIWDRPSRVGTYHTDCNCF RSIDLGWSGFISHQMLKRRSFLKNDDLIIFVDFEDITHLSQTEVPTKGKRLSPQGLILQGQEQQVSEEGSGKAMLEEALP VSLSQGQPSRQKRSVENTGPLEDHNWPQYFRDPCDPNPCQNDGICVNVKGMASCRCISGHAFFYTGERCQAVQVHGSVLG MVIGGTAGVIFLTFSIIAILSQRPRK
Secondary structure

CCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC EEECCCCCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCEEEEEECCCCCCCCCCCCCCCEEECCCCCCCCHHHHHHHHHH HCCCCCCCCCCCCCCEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEECCCCCCCCCC CCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEECCCCCCCCCCCCCCCCCCCCEEEEECC CCCCCCCEEEEEEEEECCCCCCEEEEEEEECCCCCCEEEEEEEECCCCCCEEEEEEEEEEECCCCCCEEEEEEEEECCCE EEEEEEEEECCCCCCCCCEEEEEEEECCCCCCCCEEEECCHHHHHHCCCCCCCEECCCCCCCCCCEEEEEEEECCCCCCC CEEEEEEEECCCCCCCCCCCCCCCEEEEEEECCCCCHHHHCCCCCEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEE CCCCCCCCCCCCHHHHCCCCCCCCCCEEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEECCCEEEEECCCCCEEEECCCCCCCCCCCCCCC EEECCCCCEEEEEEEEEEEEECCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2017-Sep-07 05:53 UTC

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

Cluster #1234
Cluster density83.07.66.63.1
Cluster size251295327
Average cluster RMSD3.03.88.08.8

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.

#1234
1 0.00 28.00 33.20 44.90
2 28.00 0.00 11.30 23.30
3 33.20 11.30 0.00 19.80
4 44.90 23.30 19.80 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.

#1234
1 1.00 0.72 0.71 0.73
2 0.72 1.00 0.73 0.71
3 0.71 0.73 1.00 0.71
4 0.73 0.71 0.71 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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