Download models Download trajectory View trajectory
Status: Done started: 2014-Aug-11 17:44:47 UTC
Project Nameflua
SequenceMVINTFDGVADYLQTYHKLPDNYITKSEAQALGWVASKGNLADVAPGKSIGGDIFSNREGKLPGKSGRTWREADINYTSG FRNSDRILYSSDWLIYKTTDAYQTFTKIRGGSGGSLKEVQFKAGTDSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQ KGSEEQRYAIAPAFTWRPDDKTNFTFLSYFQNEPETGNSEGSTYSRNEKMVGYSFDHEFNDTFTVRQNLRFAENKTSQNS VYGNSEGSRKYVVDDEKLQNFSVDTQLQSKFATGDIDHTLLTGVDFMRMRNDINAWFGYNSEGSSGPYRILNKQKQTGVY VQDQAQWDKVLVTLGGRYDWADQESLNRVAGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSSQVGKDGNIFAP SKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNNLMADPEGSFFSVEGGEIRARGVEIEAKAALSASVNVVGSYTYTDAEY TTDTTYKGNTPAQVPKHMASLWADYTFFDGPLSGLTLGTGGRYTNSEGSYTVVDALVRYDLARVGMAGSNVALHVNSEGS QVVATATFRF
Secondary structure

CCCCCCCHHHHHHHHHCCCCCCEEEHHHHHHCCCEECCCCCCCCCCCCCCCCCEEECCCCCCCCCCCCEEECCCCCCCCC CCCCEEEECCCCEEEECCCCCCEEEEEECCCCCCCCCEEEEEEECCCCEEEEEECCCCCCCCCCEEEEEEEEEECCCCCC CCCCCCEEEEECCCCCCCCCCCEEEEEECCCCCCCCCCCCCCCCCEEEEEEEEEEEEEECCCEEEEEECCCCCEEEEEEE EECCCEEEEEEEEECCCCCEEEECCEEEEEECCCCCCEEEEEEEEECCEECCCCCCCCCCCCCCCCCCCCCCEEEEEEEE EECCCCCCCEEEEECCCEEEEECEEEECCCCCEEECCCCCCCEEEEEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCEEEEEEEEEECCCCCEEEEEEEEEEEECCCCCCCCCCCCCEEEEEEEEEEEEEEEEEEECCCCCEEEEEEEEECEEE EECCCCCCCCCCCCCCHHHHCCCCCEECCCCCCCCCCCCCEEEECCCCCEEEEEEEECCCCCCCCCCCCEEEEEEECCCC CEEEEEEEEC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2014-Aug-12 07:39 UTC

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

Cluster #123456
Cluster density303.866.164.355.329.622.5
Cluster size1655939572812
Average cluster RMSD0.50.90.61.00.90.5

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.

#123456
1 0.00 12.50 7.80 1.20 8.24 9.96
2 12.50 0.00 11.10 12.50 10.70 8.66
3 7.80 11.10 0.00 7.65 2.88 8.39
4 1.20 12.50 7.65 0.00 7.95 9.56
5 8.24 10.70 2.88 7.95 0.00 7.58
6 9.96 8.66 8.39 9.56 7.58 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.

#123456
1 1.00 0.77 0.78 0.92 0.79 0.79
2 0.77 1.00 0.78 0.78 0.79 0.77
3 0.78 0.78 1.00 0.79 0.85 0.77
4 0.92 0.78 0.79 1.00 0.81 0.79
5 0.79 0.79 0.85 0.81 1.00 0.80
6 0.79 0.77 0.77 0.79 0.80 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