Project name: 2b9h bound default A RRNLKGLNLNLH ss: CCCCCCCCCCCC

Status: done

submitted: 2015-02-19 18:28:24, status changed: 2015-03-13 11:27:23

Project settings
Protein sequence(s) MPKRIVYNISSDFQLKSLLGEGAYGVVCSATHKPTGEIVAIKKIEPFDKPLFALRTLREIKILKHFKHENIITIFNIQRPDSFENFNEVYIIQELMQTDLHRVISTQMLSDDHIQYFIYQTLRAVKVLHGSNVIHRDLKPSNLLINSNCDLKVCDFGLARIIDVEFVATRWYRAPEVMLTSAKYSRAMDVWSCGCILAELFLRRPIFPGRDYRHQLLLIFGIIGTPHSDNDLRCIESPRAREYIKSLPMYPAAPLEKMFPRVNPKGIDLLQRMLVFDPAKRITAKEALEHPYLQTYHDPNDEPEGEPIPPSFFEFDHYKEALTTKDLKKLIWNEIFS input pdb
Peptide sequence RRNLKGLNLNLH
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCCC
Flexible regions
Unlikely to bind regions
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Zoom/rotate predicted model of the complex using mouse. Click the "View" button on the right panel to load the appropriate model. View in JSmol (pure html5/js) if you got rendering problems.
Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).
Representative conformations
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Click the "View" button to load the contact map of appropriate model.
Representative conformations
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model_4 View
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model_7 View
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model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
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Trajectories
replica_1 Download
replica_2 Download
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replica_9 Download
replica_10 Download
Selected model: model_1.pdb (most representative model of the best cluster) download the model
Details about clusters
cluster namecluster density average rmsdmax rmsdnumber of elements
cluster_1.pdb ( medoid) 77.1482 1.29621 3.46422 100
cluster_2.pdb ( medoid) 37.5108 2.63924 20.4028 99
cluster_3.pdb ( medoid) 25.9682 4.12043 32.7906 107
cluster_4.pdb ( medoid) 16.3776 6.77757 29.8332 111
cluster_5.pdb ( medoid) 16.1721 9.27526 31.9744 150
cluster_6.pdb ( medoid) 12.9509 12.586 40.7715 163
cluster_7.pdb ( medoid) 10.7683 5.10759 16.2689 55
cluster_8.pdb ( medoid) 9.64403 9.53958 20.5472 92
cluster_9.pdb ( medoid) 7.5851 6.32819 34.4199 48
cluster_10.pdb ( medoid) 5.70703 13.1417 28.0841 75
Laboratory of Theory of Biopolymers 2015