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Status: Done started: 2016-Sep-30 23:39:04 UTC
Project Name1rd817
SequenceDTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCRLKGIAPLHLGKCSIAGWILGNPECESLFSKKSWSYIA ETPNSENGTCYPGYFADYEELREQLSSVSSFERFEIFPKERSWPKHNVTRGVTAACSHKGKSSFYRNLLWLTEKNGSYPN LSKSYVNNKEKEVLVLWGVHHPSNIEDQKTIYRKENAYVSVVSSNYNRRFTPEIAKRPKVRGQEGRINYYWTLLEPGDTI IFEANGNLIAPWYAFALSRGFGSGIITSNASMDECDAKCQTPQGAINSSLPFQNVHPVTIGECPKYVRSTKLRMVTGLRN IPSIQSRGLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAINGITNKVNSVIEKMNTQFTAVGKEFNKL EKRMENLNKKVDDGFLDIWTYNAELLVLLENERTLDFHDSNVKNLYEKVKSQLKNNAKEIGNGCFEFYHKCNNECMESVK NGTYDYPKYSEESKLNREKIDG
Secondary structure

CEEEEEEECCCCCCCHHHHHCCCEEEEEEEEECCCCCCCCEEEECCCCCCCCCCCEEEEEECCCCCCCCCCCCCCCCEEE CCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCEEEEECCCCCCCCCCCCCCCCEEEECCCCCCHHHHHCEEECCCCCCCCC CCCCCCCCCCEEEEEEEECCCCCCCCHHHHHHHCCCEEEEEEECCCCCCCCHHHHCCCCCCCCCCEEEEEEEEECCCCEE EEEECCCCCCHHHHHHHHCCCCCCEEEECCCHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHCCCEEEECCCCC CCCCCCCCHHHHHHHHHCCCCCCCCCCEECCCCCCCCCCCCCCCCHHHHHHHCCCHHHHHHHHHHHCCCHHHHHHHHHHH HHHHHHHCCCCCCCCEEEEECCCCEEEEEECCCCCCCCCCHHHHHHHHHHHHHHHCHHHHCCCEEEEECCCCHHHHHHCC CCCCCCCCCCHHCCCCCCCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Oct-01 13:34 UTC

Provided templates.

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

Cluster #12345678
Cluster density170.8167.273.669.147.644.828.828.2
Cluster size9391424228281917
Average cluster RMSD0.50.50.60.60.60.60.70.6

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.

#12345678
1 0.00 0.71 0.73 0.84 0.89 0.80 0.89 0.85
2 0.71 0.00 0.75 0.70 0.85 0.80 0.98 0.90
3 0.73 0.75 0.00 0.74 1.04 0.85 1.00 0.93
4 0.84 0.70 0.74 0.00 1.01 0.63 0.92 0.84
5 0.89 0.85 1.04 1.01 0.00 1.06 1.19 1.09
6 0.80 0.80 0.85 0.63 1.06 0.00 0.76 0.89
7 0.89 0.98 1.00 0.92 1.19 0.76 0.00 0.97
8 0.85 0.90 0.93 0.84 1.09 0.89 0.97 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 0.98 0.98 0.97 0.95 0.98 0.97 0.98
2 0.98 1.00 0.98 0.99 0.96 0.98 0.97 0.98
3 0.98 0.98 1.00 0.98 0.95 0.98 0.96 0.96
4 0.97 0.99 0.98 1.00 0.95 0.98 0.97 0.97
5 0.95 0.96 0.95 0.95 1.00 0.96 0.94 0.96
6 0.98 0.98 0.98 0.98 0.96 1.00 0.97 0.97
7 0.97 0.97 0.96 0.97 0.94 0.97 1.00 0.95
8 0.98 0.98 0.96 0.97 0.96 0.97 0.95 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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