Download models Download trajectory View trajectory
Status: Done started: 2017-Apr-16 19:10:15 UTC
Project Name4oi_1
SequenceMCDHRLMSAAIKDSKAVHADMGYWIESEKNETWKLARASFIEVKTCIWPKSHTLWSNGVLESEMIIPKMYGGPISQHNYR PGYFTQTAGPWHLGKLELDFDLCEGTTVVVDEHCGSRGPSLRTTTVTGKIIHEWCCRSCTLPPLRFRGEDGCWYGMEIRP VKEKEENLVRSMVSA
Secondary structure

CCCHHHHHHHHCCCCCCCCCCCEEEECCCCHHHHHHHCCEEEEEEEECCCCCCCCCCCCEECCCCCCCCCCCCCCCCCCC CCCEEECCCCCCCCCEEEEEECCCCEEEEECCCCCCCCCCCEEEEEECCEEEEHHCCCCCCCCCEEECCCCEEECCEEEE CCHHHHHHHHHHHCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2017-Apr-17 09:05 UTC

Provided templates.

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

Cluster #12345678
Cluster density52.739.113.26.54.01.81.71.6
Cluster size1251175511221398
Average cluster RMSD2.43.04.21.75.57.25.25.0

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 18.80 21.80 20.60 6.20 22.40 20.30 22.40
2 18.80 0.00 19.70 16.50 20.10 20.80 19.80 25.00
3 21.80 19.70 0.00 20.90 21.30 9.34 15.60 18.50
4 20.60 16.50 20.90 0.00 21.10 19.70 20.50 23.00
5 6.20 20.10 21.30 21.10 0.00 21.50 20.10 23.00
6 22.40 20.80 9.34 19.70 21.50 0.00 15.80 18.40
7 20.30 19.80 15.60 20.50 20.10 15.80 0.00 14.40
8 22.40 25.00 18.50 23.00 23.00 18.40 14.40 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 0.15 0.14 0.12 0.53 0.14 0.13 0.12
2 0.15 1.00 0.12 0.16 0.14 0.12 0.11 0.13
3 0.14 0.12 1.00 0.12 0.14 0.35 0.17 0.19
4 0.12 0.16 0.12 1.00 0.13 0.11 0.15 0.14
5 0.53 0.14 0.14 0.13 1.00 0.14 0.11 0.12
6 0.14 0.12 0.35 0.11 0.14 1.00 0.16 0.17
7 0.13 0.11 0.17 0.15 0.11 0.16 1.00 0.36
8 0.12 0.13 0.19 0.14 0.12 0.17 0.36 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