Download models Download trajectory View trajectory
Status: Done started: 2016-Oct-21 09:19:03 UTC
Project Name4we5-43nuevo
SequenceATLCLGHHAVPNGTLVKTITNDQIEVTNATELVQSSSTGRICDSPHRILDGKNCTLIDALLGDPHCDGFQNEKWDLFVER SKAYSNCYPYDVPDYASLRSLVASSGTLEFINEDFNWTGVTQSGGSYSCKRGSVNSFFSRLNWLHESEYKYPALNVTMPN NGKFDKLYIWGVHHPSTDREQTKLYVRASGRVTVSTKRSQQTVIPNIGSRPWVRGLSSRISIYWTIVKPGDILLINSTGN LIAPRGYFKIRTGKSSIMRSDAPIGTCSSECITPNGSIPNDKPFQNVNKITYGACPRYVKQNTLKLATGMRNVPEKQTRG LFGAIAGFIENGWEGMIDGWYGFRHQNSEGTGQAADLKSTQAAIDQINGKLNRVIEKTNEKFHQIEKEFSEVEGRIQDLE KYVEDTKIDLWSYNAELLVALENQHTIDLTDSEMNKLFEKTRRQLRENAEDMGNGCFKIYHKCDNACIGSIRNGTYDHDV YRDEALNNRFQ
Secondary structure

CCCCCCCCCCCCCCEEEEEECCCEEEECCCCEECCCCCCCCCCCCCCEECCCCCHHHHHHHCCCCCCCCCCCCCEEEEEE CCCCCCCCCCCCCCHHHHHHHHHCCCEEEEECCCCEEEEEEECCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCEEEECCC CCCCCEEEEEECCCCCCCCCCCEEEEEEEEEEEEEECCCCCEECCCCCCCCCCCCCCCCEEEEEEEEECCCEEEECCCCC EEECCCEEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCHHHCCCCCCCCCCCCC HHHHHHHHHHCCCCCCCCCEECCEECCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHH HHHHCCCCCCCCCCHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCEEEEEEECCCCEEECCCCCCCCCCC CHHHHHHCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Oct-21 23:14 UTC

Provided templates.

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

Cluster #123456789
Cluster density219.6148.290.452.747.747.143.622.821.2
Cluster size1047345292627291413
Average cluster RMSD0.50.50.50.60.50.60.70.60.6

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 0.54 1.08 0.97 1.06 0.74 0.69 0.75 0.94
2 0.54 0.00 1.14 1.18 1.19 0.80 0.72 0.79 1.07
3 1.08 1.14 0.00 1.42 1.17 1.43 1.29 1.42 1.49
4 0.97 1.18 1.42 0.00 1.12 1.04 0.99 1.03 0.99
5 1.06 1.19 1.17 1.12 0.00 1.21 1.11 1.35 1.42
6 0.74 0.80 1.43 1.04 1.21 0.00 0.76 0.93 1.08
7 0.69 0.72 1.29 0.99 1.11 0.76 0.00 0.85 1.05
8 0.75 0.79 1.42 1.03 1.35 0.93 0.85 0.00 1.08
9 0.94 1.07 1.49 0.99 1.42 1.08 1.05 1.08 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 0.99 0.98 0.97 0.96 0.98 0.98 0.98 0.97
2 0.99 1.00 0.98 0.96 0.95 0.97 0.98 0.98 0.97
3 0.98 0.98 1.00 0.96 0.94 0.96 0.97 0.98 0.96
4 0.97 0.96 0.96 1.00 0.95 0.98 0.97 0.96 0.97
5 0.96 0.95 0.94 0.95 1.00 0.95 0.96 0.95 0.94
6 0.98 0.97 0.96 0.98 0.95 1.00 0.97 0.96 0.96
7 0.98 0.98 0.97 0.97 0.96 0.97 1.00 0.97 0.96
8 0.98 0.98 0.98 0.96 0.95 0.96 0.97 1.00 0.96
9 0.97 0.97 0.96 0.97 0.94 0.96 0.96 0.96 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