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Status: Done started: 2017-Sep-06 16:24:09 UTC
Project Namemeprin_alpha
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 06:19 UTC

Provided templates.

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

Cluster #12345678
Cluster density396.8240.4217.877.771.768.856.851.0
Cluster size9669842722242117
Average cluster RMSD0.20.30.40.30.30.30.40.3

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.

#12345678
1 0.00 3.58 3.23 7.95 5.02 7.31 3.39 5.97
2 3.58 0.00 1.86 7.90 2.18 9.75 1.55 2.77
3 3.23 1.86 0.00 7.86 3.06 8.56 2.16 3.61
4 7.95 7.90 7.86 0.00 8.39 10.60 7.96 8.81
5 5.02 2.18 3.06 8.39 0.00 10.30 2.24 1.77
6 7.31 9.75 8.56 10.60 10.30 0.00 9.25 11.20
7 3.39 1.55 2.16 7.96 2.24 9.25 0.00 3.18
8 5.97 2.77 3.61 8.81 1.77 11.20 3.18 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 0.91 0.91 0.91 0.92 0.90 0.91 0.90
2 0.91 1.00 0.95 0.93 0.94 0.92 0.93 0.94
3 0.91 0.95 1.00 0.92 0.92 0.90 0.91 0.91
4 0.91 0.93 0.92 1.00 0.91 0.91 0.91 0.92
5 0.92 0.94 0.92 0.91 1.00 0.92 0.94 0.94
6 0.90 0.92 0.90 0.91 0.92 1.00 0.93 0.92
7 0.91 0.93 0.91 0.91 0.94 0.93 1.00 0.93
8 0.90 0.94 0.91 0.92 0.94 0.92 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