Project name: 2B9F unbound default 3 run A RRNLKGLNLNLH ss: CCCCCCCCCCCC

Status: done

submitted: 2015-02-25 18:47:37, status changed: 2015-03-13 11:21:47

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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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) 31.9628 1.1576 2.03644 37
cluster_2.pdb ( medoid) 23.7066 6.4539 39.5668 153
cluster_3.pdb ( medoid) 19.1032 7.27626 31.5147 139
cluster_4.pdb ( medoid) 15.7871 8.86799 22.4725 140
cluster_5.pdb ( medoid) 13.0138 10.9883 21.0007 143
cluster_6.pdb ( medoid) 12.0216 10.4812 29.2574 126
cluster_7.pdb ( medoid) 10.2034 12.5448 55.4127 128
cluster_8.pdb ( medoid) 9.34007 10.2783 43.8792 96
cluster_9.pdb ( medoid) 7.70082 1.03885 2.82331 8
cluster_10.pdb ( medoid) 5.74485 5.22207 17.1276 30
Laboratory of Theory of Biopolymers 2015