Project name: 2E45 unbound default 3 run A PPPPPPPPPL ss: CCCCCCCCCC

Status: done

submitted: 2015-02-25 18:47:39, status changed: 2015-03-13 10:51:09

Project settings
Protein sequence(s) DSFWNPNAFETDSDLPAGWMRVQDTSGTYYWHIPTGTTQWEPPGRASPSQ input pdb
Peptide sequence PPPPPPPPPL
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCC
Flexible regions
Unlikely to bind regions
Re-submit project
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
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) 39.3638 2.79444 17.1771 110
cluster_2.pdb ( medoid) 31.9358 6.66964 16.4362 213
cluster_3.pdb ( medoid) 23.6847 7.68429 19.579 182
cluster_4.pdb ( medoid) 19.4765 6.41799 17.6327 125
cluster_5.pdb ( medoid) 16.9736 5.71476 18.875 97
cluster_6.pdb ( medoid) 8.8979 5.16976 16.4913 46
cluster_7.pdb ( medoid) 8.76764 7.07146 16.5298 62
cluster_8.pdb ( medoid) 7.76327 10.5626 23.4225 82
cluster_9.pdb ( medoid) 5.81456 9.45902 22.0469 55
cluster_10.pdb ( medoid) 3.84559 7.28106 12.76 28
Laboratory of Theory of Biopolymers 2015