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Status: Done started: 2017-Apr-04 00:14:01 UTC
Project Namebeta1A
SequenceHWWRAESDEARRCYNDPKCCDFVTNR
Secondary structure

CCCCCCCHHHHHHHCCCCCEECCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2017-Apr-04 05:32 UTC

Provided templates.

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

Cluster #12345678
Cluster density73.868.268.149.233.931.923.216.7
Cluster size5971614938352621
Average cluster RMSD0.81.00.91.01.11.11.11.3

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 1.00 0.56 0.85 0.73 1.62 1.71 2.09
2 1.00 0.00 0.65 0.72 1.02 0.79 1.15 1.58
3 0.56 0.65 0.00 0.73 0.70 1.22 1.41 1.84
4 0.85 0.72 0.73 0.00 0.76 1.19 1.24 1.69
5 0.73 1.02 0.70 0.76 0.00 1.55 1.55 1.91
6 1.62 0.79 1.22 1.19 1.55 0.00 0.89 1.21
7 1.71 1.15 1.41 1.24 1.55 0.89 0.00 1.20
8 2.09 1.58 1.84 1.69 1.91 1.21 1.20 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 0.97 0.99 0.96 0.97 0.93 0.89 0.89
2 0.97 1.00 0.97 0.96 0.95 0.97 0.92 0.92
3 0.99 0.97 1.00 0.97 0.98 0.96 0.91 0.90
4 0.96 0.96 0.97 1.00 0.96 0.96 0.94 0.94
5 0.97 0.95 0.98 0.96 1.00 0.95 0.90 0.93
6 0.93 0.97 0.96 0.96 0.95 1.00 0.94 0.95
7 0.89 0.92 0.91 0.94 0.90 0.94 1.00 0.97
8 0.89 0.92 0.90 0.94 0.93 0.95 0.97 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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