Project name: 1nvr bound default A ASVSA ss: CEEEC

Status: done

submitted: 2015-02-19 18:28:16, status changed: 2015-03-13 10:59:17

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
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model_7 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) 69.0169 1.55034 23.4182 107
cluster_2.pdb ( medoid) 26.552 4.14281 20.6026 110
cluster_3.pdb ( medoid) 23.0943 6.4085 33.6565 148
cluster_4.pdb ( medoid) 16.2695 11.6783 33.5884 190
cluster_5.pdb ( medoid) 13.6796 10.6729 44.1141 146
cluster_6.pdb ( medoid) 12.9313 5.10389 17.1489 66
cluster_7.pdb ( medoid) 5.35031 14.5786 46.0147 78
cluster_8.pdb ( medoid) 3.71287 14.0053 40.2893 52
cluster_9.pdb ( medoid) 3.46397 13.2796 35.943 46
cluster_10.pdb ( medoid) 2.72417 20.9238 44.838 57
Laboratory of Theory of Biopolymers 2015