Project name: 2QHN unbound default 3 run A ASVSA ss: CCCCC

Status: done

submitted: 2015-02-25 18:47:32, status changed: 2015-03-13 11:02:31

Project settings
Protein sequence(s) AVPFVEDWDLVQTLGGEVQLAVNRVTEEAVAVKIVDMKNIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTS input pdb
Peptide sequence ASVSA
Simulation mc cycles50
Peptide secondary structure CCCCC
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
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model_4 Download
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model_6 Download
model_7 Download
model_8 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
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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) 19.553 7.4669 27.7887 146
cluster_2.pdb ( medoid) 18.8733 8.79551 29.0066 166
cluster_3.pdb ( medoid) 14.1567 7.13444 29.0058 101
cluster_4.pdb ( medoid) 12.0708 8.45015 35.553 102
cluster_5.pdb ( medoid) 11.4479 7.42494 27.9032 85
cluster_6.pdb ( medoid) 10.6603 11.1629 33.0878 119
cluster_7.pdb ( medoid) 9.76156 7.99053 34.7961 78
cluster_8.pdb ( medoid) 8.84702 9.26866 31.0128 82
cluster_9.pdb ( medoid) 4.49112 12.6917 34.39 57
cluster_10.pdb ( medoid) 4.47973 14.2866 45.9428 64
Laboratory of Theory of Biopolymers 2015