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Status: Done started: 2016-Sep-30 05:43:54 UTC
Project Name1rd8_4
SequenceDTLCIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDKHNGKLCKLRGVAPLHLGKCNIAGWILGNPECESLSTASSWSYIV ETSSSDNGTCYPGDFINYEELREQLSSVSSFERFEMFPKTSSWPNHDSNKGVTAACPHAGAKSFYKNLIWLVKKGNSYPK LSKSYINDKGKEVLVLWGIHHPSTPADQQSLYQNADAYVFVGTSKYSKKFKPEIAIRPKVRDQEGRMNYYWTLIEPGDKI TFEATGNLVVPRYAFAMERNAGSGIIISDTPVHDCNTTCQTPEGAINTSLPFQNIHPITIGKCPKYVKSTKLRLATGLRN VPSIQSRGLFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDKITNKVNSVIEKMNTQFTAVGKEFNHL EKRIENLNKKVDDGFLDIWTYNAELLVLLENERTLDYHDSNVKNLYEKVRNQLKNNAKEIGNGCFEFYHKCDNTCMESVK NGTYDYPKYSEEAKLNREKIDG
Secondary structure

CCEEEEEECCCCCCCHHCCCCCCEEEEEEEECCCCCCCCEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEE EECCCCCCCCCCCCCCCHHHHHHHHCCCCCCHHCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHEEEEECCCCCCC CCCCCCCCCCCEEEEEEECCCCCCCHHHHHHHCCCCEEEEEECCCCCCCCCCCCCCCCCCCCCCCCEEEEEEEECCCCEE EEEECCCEEEEEEEEEECCCCCCCEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEECCCCCC CCCCCCCCHHHHHHHHHCCCCCCCCCCEECCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCEECCCHHHHH HHHHHHHHCCCCCCCEEEEECCCEEEEEEECCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCEEEEEECCCHHHHHCCC CCCCCCCCCCHHHHHCCCCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Sep-30 19:38 UTC

Provided templates.

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

Cluster #12345678
Cluster density153.1152.0137.188.488.068.039.435.9
Cluster size5561774949302019
Average cluster RMSD0.40.40.60.60.60.40.50.5

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.

#12345678
1 0.00 0.65 0.75 0.68 0.86 0.69 0.67 0.86
2 0.65 0.00 0.65 0.60 0.74 0.67 0.65 0.86
3 0.75 0.65 0.00 0.62 0.51 0.59 0.52 0.63
4 0.68 0.60 0.62 0.00 0.73 0.64 0.60 0.89
5 0.86 0.74 0.51 0.73 0.00 0.66 0.57 0.68
6 0.69 0.67 0.59 0.64 0.66 0.00 0.54 0.72
7 0.67 0.65 0.52 0.60 0.57 0.54 0.00 0.64
8 0.86 0.86 0.63 0.89 0.68 0.72 0.64 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 0.98 0.97 0.98 0.96 0.97 0.97 0.97
2 0.98 1.00 0.98 0.99 0.98 0.98 0.98 0.97
3 0.97 0.98 1.00 0.99 0.99 0.99 0.99 0.99
4 0.98 0.99 0.99 1.00 0.98 0.99 0.98 0.98
5 0.96 0.98 0.99 0.98 1.00 0.98 0.99 0.98
6 0.97 0.98 0.99 0.99 0.98 1.00 0.99 0.98
7 0.97 0.98 0.99 0.98 0.99 0.99 1.00 0.99
8 0.97 0.97 0.99 0.98 0.98 0.98 0.99 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.


 

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