Project name: 2B9F unbound default A RRNLKGLNLNLH ss: CCCCCCCCCCCC

Status: done

submitted: 2015-02-20 17:44:43, status changed: 2015-03-13 11:11:17

Project settings
Protein sequence(s) MPKRIVYNISSDFQLKSLLGEGAYGVVCSATHKPTGEIVAIKKIEPFDKPLFALRTLREIKILKHFKHENIITIFNIQRPDSFENFNEVYIIQELMQTDLHRVISTQMLSDDHIQYFIYQTLRAVKVLHGSNVIHRDLKPSNLLINSNCDLKVCDFGLARIIDTEYVATRWYRAPEVMLTSAKYSRAMDVWSCGCILAELFLRRPIFPGRDYRHQLLLIFGIIGTPHSDNDLRCIESPRAREYIKSLPMYPAAPLEKMFPRVNPKGIDLLQRMLVFDPAKRITAKEALEHPYLQTYHDPNDEPEGEPIPPSFFEFDHYKEALTTKDLKKLIWNEIFS 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) 41.5691 2.69431 13.9952 112
cluster_2.pdb ( medoid) 39.3271 4.24643 14.4566 167
cluster_3.pdb ( medoid) 31.1886 4.9377 32.9322 154
cluster_4.pdb ( medoid) 27.0268 6.10505 20.3156 165
cluster_5.pdb ( medoid) 14.3389 7.25298 30.818 104
cluster_6.pdb ( medoid) 8.93225 7.61287 21.0922 68
cluster_7.pdb ( medoid) 8.44376 7.69799 22.3131 65
cluster_8.pdb ( medoid) 7.92753 7.6947 20.9195 61
cluster_9.pdb ( medoid) 3.83512 14.0804 35.2856 54
cluster_10.pdb ( medoid) 2.69517 18.5517 35.2552 50
Laboratory of Theory of Biopolymers 2015