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Status: Done started: 2016-Dec-21 08:24:58 UTC
Project NameTMEM
SequenceMVHHSGSIQSFKQQKGMNISKSEITKETSLKPSRRSLPCLAQSYAYSKSLSQSTSLFQSTESESQAPTSITLISTDKAEQ VNTEENKNDSVLRCSFADLSDFCLALGKDKDYTDESEHATYDRSRLINDFVIKDKSEFKTKLSKNDMNYIASSGPLFKDG KKRIDYILVYRKTNIQYDKRNTFEKNLRAEGLMLEKEPAIASPDIMFIKIHIPWDTLCKYAERLNIRMPFRKKCYYTDGR SKSMGRMQTYFRRIKNWMAQNPMVLDKSAFPDLEESDCYTGPFSRARIHHFIINNKDTFFSNATRSRIVYHMLERTKYEN GISKVGIRKLINNGSYIAAFPPHEGAYKSSQPIKTHGPQNNRHLLYERWARWGMWYKHQPLDLIRLYFGEKIGLYFAWLG WYTGMLIPAAIVGLCVFFYGLFTMNNSQVSQEICKATEVFMCPLCDKNCSLQRLNDSCIYAKVTYLFDNGGTVFFAIFMA IWATVFLEFWKRRRSILTYTWDLIEWEEEEETLRPQFEAKYYKMEIVNPITGKPEPHQPSSDKVTRLLVSVSGIFFMISL VITAVFGVVVYRLVVMEQFASFKWNFIKQYWQFATSAAAVCINFIIIMLLNLAYEKIAYLLTNLEYPRTESEWENSFALK MFLFQFVNLNSSIFYIAFFLGRFVGHPGKYNKLFDRWRLEECHPSGCLIDLCLQMGVIMFLKQIWNNFMELGYPLIQNWW SRHKIKRGIHDASIPQWENDWNLQPMNLHGLMDEYLEMVLQFGFTTIFVAAFPLAPLLALLNNIIEIRLDAYKFVTQWRR PLPARATDIGIWLGILEGIGILAVITNAFVIAITSDYIPRFVYEYKYGPCANHVEPSENCLKGYVNNSLSFFDLSELGMG KSGYCRYRDYRGPPWSSKPYEFTLQYWHILAARLAFIIVFEHLVFGIKSFIAYLIPDVPKGLHDRIRREKYLVQEMMYEA ELEHLQQQRRKSGQPVHHEWP
Secondary structure

CCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHH CCCCCCCCCCCCCCCCCCCHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCEEEEEEEECCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCEEEEEEECCHHHHHHHHHHHCCCCCCCCCCCCCCCC CCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEECCCCCCCCCCCHHHHHHHHHHCCCCCC CCCCCCHHHHCCCCEEECCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCHHHHHHHHCCHHHHHHHHHH HHHHCHHHHHHHHHHHHHHCCCCCCCCCCHHHHCCCCCEEECCCCCCCCCCCCCCCHHCCCCCCCCCCCCCCHHHHHHHH HHHHHHHHHHHHCCCEEEEEECCCCCHHHHCCCCHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCHHHHHHH HHHHHCCCHHHHHHHHHHHHCCCHHHHHHHHEEEHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHH HHHHHHHCCCCHHHHHHHHCCCCCCCCCCCHHHHCCHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH HHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCHHHHCCCCCCHHHCCCCCEEEEEECCCHHHHHHCC CCCCCCCCHHHHHHHHHHCCEEEEEEEEEEEEECCCCCCCEEEEEEECCCCCCCCCCCCCCCEEECCCCCEEECCCCCCC CCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHH HHHHHHHHHHHCCCCCCCCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2016-Dec-21 21:19 UTC

Provided templates.

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

Cluster #123456789
Cluster density78.341.329.621.015.212.312.26.63.7
Cluster size9365584451621139
Average cluster RMSD1.21.62.02.13.30.51.72.02.4

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.

#123456789
1 0.00 42.30 33.20 42.60 27.30 35.70 30.70 20.40 40.40
2 42.30 0.00 39.30 27.40 46.10 49.70 34.70 41.70 26.00
3 33.20 39.30 0.00 26.50 23.90 24.30 27.10 24.30 42.10
4 42.60 27.40 26.50 0.00 35.40 35.10 21.80 37.40 26.70
5 27.30 46.10 23.90 35.40 0.00 18.20 22.90 29.00 43.30
6 35.70 49.70 24.30 35.10 18.20 0.00 24.00 36.60 49.60
7 30.70 34.70 27.10 21.80 22.90 24.00 0.00 35.10 33.80
8 20.40 41.70 24.30 37.40 29.00 36.60 35.10 0.00 46.50
9 40.40 26.00 42.10 26.70 43.30 49.60 33.80 46.50 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.

#123456789
1 1.00 0.69 0.66 0.67 0.62 0.68 0.67 0.65 0.66
2 0.69 1.00 0.66 0.68 0.64 0.66 0.65 0.65 0.68
3 0.66 0.66 1.00 0.65 0.62 0.64 0.64 0.65 0.64
4 0.67 0.68 0.65 1.00 0.63 0.66 0.65 0.65 0.67
5 0.62 0.64 0.62 0.63 1.00 0.63 0.63 0.64 0.63
6 0.68 0.66 0.64 0.66 0.63 1.00 0.67 0.65 0.66
7 0.67 0.65 0.64 0.65 0.63 0.67 1.00 0.64 0.67
8 0.65 0.65 0.65 0.65 0.64 0.65 0.64 1.00 0.65
9 0.66 0.68 0.64 0.67 0.63 0.66 0.67 0.65 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