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

Status: done

submitted: 2015-02-25 18:46:48, status changed: 2015-03-13 11:12:11

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
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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) 38.0953 3.54375 13.3731 135
cluster_2.pdb ( medoid) 27.5355 6.60964 38.3072 182
cluster_3.pdb ( medoid) 18.3214 10.9708 32.4718 201
cluster_4.pdb ( medoid) 15.2961 4.11869 18.0696 63
cluster_5.pdb ( medoid) 8.39723 10.956 33.0459 92
cluster_6.pdb ( medoid) 7.29854 13.1533 37.9102 96
cluster_7.pdb ( medoid) 7.26238 9.77641 41.6514 71
cluster_8.pdb ( medoid) 4.9058 11.0074 26.1148 54
cluster_9.pdb ( medoid) 4.83138 10.9699 36.9768 53
cluster_10.pdb ( medoid) 4.36163 12.1514 32.4184 53
Laboratory of Theory of Biopolymers 2015