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Status: Done started: 2017-Sep-05 16:59:42 UTC
Project Namebioinfo
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-06 06:54 UTC

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

Cluster #123456
Cluster density78.415.013.35.03.93.8
Cluster size1795553184114
Average cluster RMSD2.33.74.03.610.53.7

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 44.70 15.10 39.60 51.70 0.51
2 44.70 0.00 4.69 43.30 48.50 52.70
3 15.10 4.69 0.00 61.00 59.70 40.30
4 39.60 43.30 61.00 0.00 41.30 50.30
5 51.70 48.50 59.70 41.30 0.00 50.30
6 0.51 52.70 40.30 50.30 50.30 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 0.12 0.06 0.10 0.05 0.08
2 0.12 1.00 0.06 0.09 0.06 0.07
3 0.06 0.06 1.00 0.04 0.06 0.05
4 0.10 0.09 0.04 1.00 0.06 0.07
5 0.05 0.06 0.06 0.06 1.00 0.05
6 0.08 0.07 0.05 0.07 0.05 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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