Project name: 2p0w bound default 3 runA KGGKGLGKGGAKRHR ss: CCCCCCCCCCCCCCC

Status: done

submitted: 2015-02-23 11:19:17, status changed: 2015-03-13 11:26:28

Project settings
Protein sequence(s) AEYKCNTNTAIELKLVRFPEDLENDIRTFFPEYTHQLFGDDETAFGYKGLKILLYYIAGSLSTMFRVEYASKVDENFDCVEADDVEGKIRQIIPPGFCTNTNDFLSLLEKEVDFKPFGTLLHTYSVLSPTGGENFTFQIYKADMTCRGFREYHERLQTFLMWFIETASFIDVDDERWHYFLVFEKYNKDGATLFATVGYMTVYNYYVYPDKTRPRVSQMLILTPFQGQGHGAQLLETVHRYYTEFPTVLDITAEDPSKSYVKLRDFVLVKLCQDLPCFSREKLMQGFNEDMAIEAQQKFKINKQHARRVYEILRLLVTD input pdb
Peptide sequence KGGKGLGKGGAKRHR
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCCCCCC
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
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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) 31.2011 5.83313 20.7787 182
cluster_2.pdb ( medoid) 22.8844 5.33114 19.6691 122
cluster_3.pdb ( medoid) 14.6029 8.83387 21.7097 129
cluster_4.pdb ( medoid) 10.1086 8.60654 24.8671 87
cluster_5.pdb ( medoid) 8.40043 11.428 34.9483 96
cluster_6.pdb ( medoid) 8.17965 10.5139 27.9194 86
cluster_7.pdb ( medoid) 6.2172 13.6717 46.6771 85
cluster_8.pdb ( medoid) 5.63942 12.5899 29.4044 71
cluster_9.pdb ( medoid) 5.3061 18.6578 60.0761 99
cluster_10.pdb ( medoid) 2.04195 21.0583 46.4254 43
Laboratory of Theory of Biopolymers 2015