Project name: b0dcf4a52d059d9

Status: done

submitted: 2017-09-12 22:08:48, status changed: 2017-09-13 01:30:21

Project settings
Protein sequence(s) EVANPEHYIKHPLQNRWALWFFKNDKSKTWQANLRLISKFDTVEDFWALYNHIQLSSNLMPGCDYSLFKDGIEPMWEDEKNKRGGRWLITLNKQQRRSDLDRFWLETLLCLIGESFDDYSDDVCGAVVNVRAKGDKIAIWTTECENREAVTHIGRVYKERLGLPPKIVIGYQSHADTATKSGSTTKNRFVVPGGTRIIYDRKFLMECRNSP input pdb
Peptide sequence CYPYAASPAC
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCCCC
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
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) 69.6966 2.88393 16.0621 201
cluster_2.pdb ( medoid) 65.0465 3.53593 34.5821 230
cluster_3.pdb ( medoid) 16.6371 5.34948 14.2965 89
cluster_4.pdb ( medoid) 15.4603 4.85115 27.5466 75
cluster_5.pdb ( medoid) 9.628 9.65932 20.6617 93
cluster_6.pdb ( medoid) 6.72233 6.54535 13.4354 44
cluster_7.pdb ( medoid) 5.81154 17.2071 37.8324 100
cluster_8.pdb ( medoid) 5.53606 16.6183 40.4281 92
cluster_9.pdb ( medoid) 2.72861 12.8271 38.6195 35
cluster_10.pdb ( medoid) 2.53686 16.1617 34.2254 41

 
Laboratory of Theory of Biopolymers 2015