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Status: Done started: 2017-Sep-13 19:56:22 UTC
Project Namehif1aconsensus
SequenceMEGAGGANDKKKISSERRKEKSRDAARSRRSKESEVFYELAHQLPLPHNVSSHLDKASVMRLTISYLRVRKLLDAGDLDI EDDMKAQMNCFYLKALDGFVMVLTDDGDMIYISDNVNKYMGLTQFELTGHSVFDFTHPCDHEEMREMLTHRNGLVKKGKE QNTQRSFFLRMKCTLTSRGRTMNIKSATWKVLHCTGHIHVYDTNSNQPQCGYKKPPMTCLVLICEPIPHPSNIEIPLDSK TFLSRHSLDMKFSYCDERITELMGYEPEELLGRSIYEYYHALDSDHLTKTHHDMFTKGQVTTGQYRMLAKRGGYVWVETQ ATVIYNTKNSQPQCIVCVNYVVSGIIQHDLIFSLQQTECVLKPVESSDMKMTQLFTKVESEDTSSLFDKLKKEPDALTLL APAAGDTIISLDFGSNDTETDDQQLEEVPLYNDVMLPSPNEKLQNINLAMSPLPTAETPKPLRSSADPALNQEVALKLEP NPESLELSFTMPQIQDQTPSPSDGSTRQSSPEPNSPSEYCFYVDSDMVNEFKLELVEKLFAEDTEAKNPFSTQDTDLDLE MLAPYIPMDDDFQLRSFDQLSPLESSSASPESASPQSTVTVFQQTQIQEPTANATTTTATTDELKTVTKDRMEDIKILIA SPSPTHIHKETTSATSSPYRDTQSRTASPNRAGKGVIEQTEKSHPRSPNVLSVALSQRTTVPEEELNPKILALQNAQRKR KMEHDGSLFQAVGIGTLLQQPDDHAATTSLSWKRVKGCKSSEQNGMEQKTIILIPSDLACRLLGQSMDESGLPQLTSYDC EVNAPIQGSRNLLQGEELLRALDQVN
Secondary structure

CCCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCCC HHHHHHHHHHHHHHHCCCEEEEECCCCCEEEECCCHHHCCCCCCEEECCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCC CCCCCCEEEECCCCCCCCCCCCCCCCCCEEEEEECCEEEECCCCCCCCCCCCCCCCCEEEEEEECCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCHHHHHHCCCCCCCCCCCCEEEEECCCCCHHHHHHHHHHCCCCCCCCCCCEEEECCCCEEEEEEC EEEEECCCCCCCCEEEEEEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCHHHHCC CCCCCCCEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCE EECCCCCCCCCCCCHHHHHHHHHCCC

Simulation (CABS) temperature2.0 - 1.0
Estimated finish time2017-Sep-14 09:51 UTC

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

Cluster #123456
Cluster density69.212.45.54.23.72.6
Cluster size2106632221911
Average cluster RMSD3.05.35.85.35.24.3

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 9.65 13.60 22.40 26.10 32.60
2 9.65 0.00 11.60 20.30 24.00 30.30
3 13.60 11.60 0.00 15.80 18.10 24.20
4 22.40 20.30 15.80 0.00 10.60 17.90
5 26.10 24.00 18.10 10.60 0.00 11.40
6 32.60 30.30 24.20 17.90 11.40 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.

#123456
1 1.00 0.48 0.42 0.36 0.29 0.26
2 0.48 1.00 0.42 0.37 0.31 0.26
3 0.42 0.42 1.00 0.45 0.37 0.32
4 0.36 0.37 0.45 1.00 0.44 0.34
5 0.29 0.31 0.37 0.44 1.00 0.41
6 0.26 0.26 0.32 0.34 0.41 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