Project name: 2o4j bound default 2 runA KNHPMLMNLLKD ss: CCCHHHHHHHCC

Status: done

submitted: 2015-02-23 11:18:42, status changed: 2015-03-13 10:52:42

Project settings
Protein sequence(s) KLSEEQQHIIAILLDAHHKTYDPTYADFRDFRPPVRMPLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSDDQIVLLKSSAIEVIMLRSNQSFTMDDMSWDCGSQDYKYDVTDVSKAGHTLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAKLVEAIQDRLSNTLQTYIRCRHPPPGSHQLYAKMIQKLADLRSLNEEHSKQYRSLSFQPENSMKLTPLVLEVFGNE input pdb
Peptide sequence KNHPMLMNLLKD
Simulation mc cycles50
Peptide secondary structure CCCHHHHHHHCC
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
model_1 View
model_2 View
model_3 View
model_4 View
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model_6 View
model_7 View
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model_9 View
model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
Select trajectory from the right panel to display animation in JSmol. Note that it may hangs browser window for few minutes or ever.
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) 56.2187 2.72151 21.7299 153
cluster_2.pdb ( medoid) 28.5524 5.77885 19.2961 165
cluster_3.pdb ( medoid) 17.6574 8.2685 27.8186 146
cluster_4.pdb ( medoid) 16.8403 8.90722 30.2932 150
cluster_5.pdb ( medoid) 10.1743 9.63208 32.6574 98
cluster_6.pdb ( medoid) 8.63649 7.75778 20.164 67
cluster_7.pdb ( medoid) 7.84864 5.60607 14.5261 44
cluster_8.pdb ( medoid) 6.8479 13.7268 34.5211 94
cluster_9.pdb ( medoid) 3.45009 12.4634 29.2727 43
cluster_10.pdb ( medoid) 2.8322 14.1233 26.1517 40
Laboratory of Theory of Biopolymers 2015