Project name: m1c1+oxb

Status: done

submitted: 2018-07-07 13:15:40, status changed: 2018-07-22 20:03:11

Project settings
Protein sequence(s) DEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGV input pdb
Peptide sequence RSGPPGLQGRLQRLLQASGNHAAGILTM
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCHHHHHHHHHHHHCCCCCEEECC
Contact information
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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
model_1 Download
model_2 Download
model_3 Download
model_4 Download
model_5 Download
model_6 Download
model_7 Download
model_8 Download
model_9 Download
model_10 Download
 

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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
model_5 View
model_6 View
model_7 View
model_8 View
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
replica_3 Download
replica_4 Download
replica_5 Download
replica_6 Download
replica_7 Download
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) 22.6458 2.78197 10.7622 63
cluster_2.pdb ( medoid) 18.4496 6.44999 39.093 119
cluster_3.pdb ( medoid) 14.6777 6.81307 21.1171 100
cluster_4.pdb ( medoid) 14.1369 9.97388 29.6154 141
cluster_5.pdb ( medoid) 14.0217 10.6264 30.3001 149
cluster_6.pdb ( medoid) 11.1743 4.11658 7.19435 46
cluster_7.pdb ( medoid) 10.4118 4.12995 23.3587 43
cluster_8.pdb ( medoid) 6.46197 14.7014 33.5712 95
cluster_9.pdb ( medoid) 5.44153 4.96184 22.233 27
cluster_10.pdb ( medoid) 2.03885 9.31899 22.3419 19

 
Laboratory of Theory of Biopolymers 2015