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

Status: done

submitted: 2015-02-25 18:46:53, status changed: 2015-03-13 11:15:24

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
model_1 View
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model_4 View
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model_7 View
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model_9 View
model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
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Trajectories
replica_1 Download
replica_2 Download
replica_3 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) 31.8481 3.64229 26.5517 116
cluster_2.pdb ( medoid) 22.2729 5.92649 35.1219 132
cluster_3.pdb ( medoid) 21.1363 11.8753 40.6965 251
cluster_4.pdb ( medoid) 15.1324 4.95625 15.835 75
cluster_5.pdb ( medoid) 13.2562 5.88404 29.7238 78
cluster_6.pdb ( medoid) 10.8846 8.54421 32.697 93
cluster_7.pdb ( medoid) 8.28419 10.6226 28.7272 88
cluster_8.pdb ( medoid) 7.40539 13.2336 41.1756 98
cluster_9.pdb ( medoid) 5.0558 6.92274 34.4673 35
cluster_10.pdb ( medoid) 4.81945 7.05475 28.6263 34
Laboratory of Theory of Biopolymers 2015