Project name: 1nvr bound default 3 runA ASVSA ss: CEEEC

Status: done

submitted: 2015-02-23 11:19:03, status changed: 2015-03-13 11:15:29

Project settings
Protein sequence(s) VPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKNIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGA input pdb
Peptide sequence ASVSA
Simulation mc cycles50
Peptide secondary structure CEEEC
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) 43.0548 2.50843 18.7441 108
cluster_2.pdb ( medoid) 27.57 3.91731 18.4178 108
cluster_3.pdb ( medoid) 20.746 11.1347 27.8845 231
cluster_4.pdb ( medoid) 15.7438 8.57481 23.1982 135
cluster_5.pdb ( medoid) 11.1704 10.2951 36.8578 115
cluster_6.pdb ( medoid) 6.92323 9.53312 25.7453 66
cluster_7.pdb ( medoid) 6.28772 12.5642 31.8608 79
cluster_8.pdb ( medoid) 5.71935 8.21772 28.4546 47
cluster_9.pdb ( medoid) 4.22774 14.4285 36.9854 61
cluster_10.pdb ( medoid) 3.42996 14.5774 40.7027 50
Laboratory of Theory of Biopolymers 2015