Download models Download trajectory View trajectory
Status: Done started: 2018-Apr-13 14:20:11 UTC
Project Name62
SequenceMRMLFIYLMRLVMKQWPLVCIVLLLLRMLKTLSVVKLSKILLMVSLKTLLMTMKMLLLVTMTMKMLLLVTMTMKMLLLVT MTMKMLLLVTMTMKMLLLVTMTMKMLLLVTMTMKMLLLVTMTMKMLLLVTMTMKMLLLVTMTMKMLLLVTMTMKMLLLVT MTMKMLLLVTMTMKMLLLVTMTMKMLLLVTITMKRLLLVTMMTKLLLLVMM
Secondary structure

CCEEHHHHHHHHHCCCCEEEEEEEEEEEEEEEEEEEEEEEEEEEECEEEEEEEEEEEEEEEEEEEEEEEEEEECCEEEEE EEEEEEEEEEEEEEEEEEEEEEEECEEEEEEEEEEEEEEEEECCCEEEEEEEEECEEEEEEEECCEEEEEEEEEEEEEEE EEEECEEEEEEEEECEEEEEEEEEEEEEEEEEEECEEEEEEEEECEEEEEC

Simulation (CABS) temperature3.5 - 1.0
Estimated finish time2018-Apr-14 04:15 UTC

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

Cluster #12345678910
Cluster density51.244.218.912.010.67.75.34.50.80.6
Cluster size1016642344514133447
Average cluster RMSD2.01.52.22.84.31.82.57.64.910.8

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 26.60 29.00 25.70 26.40 24.60 23.00 24.60 26.70 26.00
2 26.60 0.00 25.00 23.10 27.90 18.50 26.00 24.60 26.20 25.40
3 29.00 25.00 0.00 29.70 33.80 29.40 26.90 25.70 25.60 25.80
4 25.70 23.10 29.70 0.00 29.40 22.20 25.00 23.00 25.10 25.60
5 26.40 27.90 33.80 29.40 0.00 28.60 26.50 27.30 29.50 26.60
6 24.60 18.50 29.40 22.20 28.60 0.00 25.00 23.00 28.10 26.30
7 23.00 26.00 26.90 25.00 26.50 25.00 0.00 26.70 26.40 22.50
8 24.60 24.60 25.70 23.00 27.30 23.00 26.70 0.00 27.10 24.70
9 26.70 26.20 25.60 25.10 29.50 28.10 26.40 27.10 0.00 23.50
10 26.00 25.40 25.80 25.60 26.60 26.30 22.50 24.70 23.50 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 0.11 0.12 0.09 0.15 0.11 0.10 0.09 0.10 0.07
2 0.11 1.00 0.13 0.09 0.14 0.11 0.11 0.10 0.09 0.09
3 0.12 0.13 1.00 0.09 0.14 0.10 0.09 0.10 0.09 0.08
4 0.09 0.09 0.09 1.00 0.07 0.13 0.10 0.08 0.11 0.07
5 0.15 0.14 0.14 0.07 1.00 0.12 0.13 0.10 0.09 0.10
6 0.11 0.11 0.10 0.13 0.12 1.00 0.11 0.08 0.09 0.07
7 0.10 0.11 0.09 0.10 0.13 0.11 1.00 0.09 0.08 0.10
8 0.09 0.10 0.10 0.08 0.10 0.08 0.09 1.00 0.08 0.09
9 0.10 0.09 0.09 0.11 0.09 0.09 0.08 0.08 1.00 0.07
10 0.07 0.09 0.08 0.07 0.10 0.07 0.10 0.09 0.07 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