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

Status: done

submitted: 2015-02-20 17:44:46, status changed: 2015-03-13 11:30:43

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
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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
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) 32.9984 4.48507 11.9003 148
cluster_2.pdb ( medoid) 24.5233 6.52441 20.9359 160
cluster_3.pdb ( medoid) 19.3612 5.68145 11.9833 110
cluster_4.pdb ( medoid) 15.1135 9.32941 24.309 141
cluster_5.pdb ( medoid) 12.6091 5.71018 14.3239 72
cluster_6.pdb ( medoid) 12.175 7.22795 16.5496 88
cluster_7.pdb ( medoid) 9.93946 5.33228 11.7766 53
cluster_8.pdb ( medoid) 9.62287 10.3919 24.5099 100
cluster_9.pdb ( medoid) 9.6008 6.35364 14.2415 61
cluster_10.pdb ( medoid) 6.48964 10.3242 19.1245 67
Laboratory of Theory of Biopolymers 2015