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Status: Done started: 2017-Jan-10 15:28:37 UTC
Project Nameb404
SequenceDRICTGITSSNSPHVVKTATQGEVNVTGVIPLTTTPTKSHFANLKGTKTRGKLCPKCLNCTDLDVALGRPKCTGNIPSAK VSILHEVRPVTSGCFPIMHDRTKIRQLPNLLRGYEHIRLSTHNVINAEKAPGGPYKIGTSGSCPNVTNGNGFFATMAWAV PKNDNNKTATNSLTIEVPYICTEGEDQITVWGFHSDNETQMAKLYGDSKPQKFTSSANGVTTHYVSQIGGFPNQTEDGGL PQSGRIVVDYMVQKSGKTGTITYQRGILLPQKVWCASGRSKVIKGSLPLIGEADCLHEKYGGLNKSKPYYTGEHAKAIGN CPIWVK
Secondary structure

CCCCCCCCCCCCCCEEEECCCCEEEEEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHCCCCCCCCCCCCCCE EEEEEEECCCCCCCCCCCCCCHHHCCCCCCCCCCCEEEEECCCCCCCCCCCCCCEEECCCCCCCCCCCCCCCEEEEEEEE ECCCCCCCCCCEEEEEEEEEECCCCCEEEEEEEECCCHHHHHHHHCCCCCCCCCCCCCCCEEEEEECCCCCCCCCCCCCC CCCCEEEEEEEEEECCCEEEEEEEEEEECCCEEEECCCCCEEEECCCCCCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCC CCCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2017-Jan-11 04:23 UTC

Provided templates.

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

Cluster #12345678
Cluster density130.7121.194.191.385.763.753.136.8
Cluster size4372565554402713
Average cluster RMSD0.30.60.60.60.60.60.50.4

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 3.24 3.76 3.91 4.17 3.10 2.65 2.92
2 3.24 0.00 2.73 1.92 3.36 1.61 1.81 1.60
3 3.76 2.73 0.00 3.90 1.82 3.16 3.32 2.20
4 3.91 1.92 3.90 0.00 4.67 1.98 2.57 2.74
5 4.17 3.36 1.82 4.67 0.00 3.89 3.94 2.94
6 3.10 1.61 3.16 1.98 3.89 0.00 1.93 2.14
7 2.65 1.81 3.32 2.57 3.94 1.93 0.00 1.88
8 2.92 1.60 2.20 2.74 2.94 2.14 1.88 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 0.90 0.90 0.88 0.87 0.88 0.87 0.89
2 0.90 1.00 0.94 0.93 0.91 0.93 0.90 0.93
3 0.90 0.94 1.00 0.92 0.90 0.91 0.88 0.91
4 0.88 0.93 0.92 1.00 0.89 0.91 0.88 0.91
5 0.87 0.91 0.90 0.89 1.00 0.89 0.90 0.89
6 0.88 0.93 0.91 0.91 0.89 1.00 0.89 0.90
7 0.87 0.90 0.88 0.88 0.90 0.89 1.00 0.89
8 0.89 0.93 0.91 0.91 0.89 0.90 0.89 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