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Status: Done started: 2015-Oct-26 10:09:56 UTC
Project NameDrosophila_grimshawi_FBpp015041
SequenceRYLWTDRELLMHLQNYTPLILLIDFVEKTRTKRFYESSERYEILMLVFIMRKGAPFCENKRFPAEYWVNLSVGPIAEAFD RLQAAIDIPDPQLPIHMSVTDLTSWKQMFDVAMVDIRRYAYHTDPMQLADVGVFNRITFEQRFAMQWQE
Secondary structure

CCCCCHHHHHHHHHCCCCEEEEHHHHHHHCCHHHHCCCCHHHHHHHHHHHHCCCCCCCCCCCCCCCEEECCCCHHHHHHH HHHHHCCCCCCCCCEEEEEECHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHCCCC

Simulation (CABS) temperature3.5 - 1.0
Estimated finish time2015-Oct-26 23:04 UTC

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

Cluster #12345678910
Cluster density44.43.83.32.92.72.10.70.60.50.4
Cluster size15240393933299865
Average cluster RMSD3.410.511.713.412.313.713.212.411.113.6

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.

#12345678910
1 0.00 12.70 17.20 16.40 18.10 17.10 19.10 18.90 22.30 22.60
2 12.70 0.00 17.50 17.90 19.50 16.70 20.00 17.90 21.40 20.10
3 17.20 17.50 0.00 14.70 14.50 15.30 13.50 18.20 15.40 20.20
4 16.40 17.90 14.70 0.00 16.20 16.10 17.60 19.30 15.30 22.40
5 18.10 19.50 14.50 16.20 0.00 19.30 16.20 17.60 19.90 22.40
6 17.10 16.70 15.30 16.10 19.30 0.00 16.10 20.20 19.00 20.00
7 19.10 20.00 13.50 17.60 16.20 16.10 0.00 19.70 16.50 22.10
8 18.90 17.90 18.20 19.30 17.60 20.20 19.70 0.00 21.60 24.50
9 22.30 21.40 15.40 15.30 19.90 19.00 16.50 21.60 0.00 24.20
10 22.60 20.10 20.20 22.40 22.40 20.00 22.10 24.50 24.20 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.

#12345678910
1 1.00 0.25 0.17 0.18 0.22 0.20 0.18 0.17 0.19 0.15
2 0.25 1.00 0.16 0.21 0.19 0.20 0.18 0.20 0.19 0.17
3 0.17 0.16 1.00 0.23 0.21 0.17 0.26 0.16 0.19 0.18
4 0.18 0.21 0.23 1.00 0.19 0.19 0.16 0.18 0.20 0.18
5 0.22 0.19 0.21 0.19 1.00 0.18 0.25 0.19 0.21 0.18
6 0.20 0.20 0.17 0.19 0.18 1.00 0.18 0.16 0.17 0.16
7 0.18 0.18 0.26 0.16 0.25 0.18 1.00 0.17 0.19 0.16
8 0.17 0.20 0.16 0.18 0.19 0.16 0.17 1.00 0.16 0.16
9 0.19 0.19 0.19 0.20 0.21 0.17 0.19 0.16 1.00 0.16
10 0.15 0.17 0.18 0.18 0.18 0.16 0.16 0.16 0.16 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