Project name: 7990ba471cd35f1

Status: done

submitted: 2017-12-04 10:41:11, status changed: 2017-12-04 14:17:05

Project settings
Protein sequence(s) MVKQIESKTAFQEALDAAGDKLVVVDFSATWCGPCKMIKPFFHSLSEKYSNVIFLEVDVDDCQDVASECEVKCTPTFQFFKKGQKVGEFSGANKEKLEATINELV input pdb
Peptide sequence ETRWPNT
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCC
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) 30.587 5.68869 17.4976 174
cluster_2.pdb ( medoid) 21.1307 2.79214 17.4797 59
cluster_3.pdb ( medoid) 20.7652 5.15285 14.8723 107
cluster_4.pdb ( medoid) 20.215 6.92557 26.5207 140
cluster_5.pdb ( medoid) 15.6571 7.79199 33.9834 122
cluster_6.pdb ( medoid) 13.855 7.6507 25.7566 106
cluster_7.pdb ( medoid) 10.9472 7.8559 32.0407 86
cluster_8.pdb ( medoid) 7.63654 12.5711 37.1159 96
cluster_9.pdb ( medoid) 5.93304 11.2927 34.5222 67
cluster_10.pdb ( medoid) 2.51008 17.1309 31.622 43

 
Laboratory of Theory of Biopolymers 2015