Project name: 2b9h bound default 3 runA RRNLKGLNLNLH ss: CCCCCCCCCCCC

Status: done

submitted: 2015-02-23 11:19:11, status changed: 2015-03-13 11:31:24

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_8 Download
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) 45.2241 4.68776 39.2615 212
cluster_2.pdb ( medoid) 17.3842 5.75235 21.172 100
cluster_3.pdb ( medoid) 15.2732 10.6723 36.2923 163
cluster_4.pdb ( medoid) 12.6256 14.336 53.9231 181
cluster_5.pdb ( medoid) 12.1941 3.60829 8.02103 44
cluster_6.pdb ( medoid) 11.5553 4.41356 10.498 51
cluster_7.pdb ( medoid) 9.50503 7.25931 18.5069 69
cluster_8.pdb ( medoid) 8.56534 7.23848 30.4938 62
cluster_9.pdb ( medoid) 5.6858 8.09033 36.6076 46
cluster_10.pdb ( medoid) 3.27003 22.0181 55.6173 72
Laboratory of Theory of Biopolymers 2015