Project name: 2c3i bound default 3 runB KRRRHPSG ss: CCCCCCCC

Status: done

submitted: 2015-02-23 11:19:12, status changed: 2015-03-13 11:23:28

Project settings
Peptide sequence KRRRHPSG
Simulation mc cycles50
Peptide secondary structure CCCCCCCC
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
model_2 Download
model_3 Download
model_4 Download
model_5 Download
model_6 Download
model_7 Download
model_8 Download
model_9 Download
model_10 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.
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) 305.625 0.327198 0.842353 100
cluster_2.pdb ( medoid) 88.8637 0.911508 2.2381 81
cluster_3.pdb ( medoid) 23.2593 3.99841 17.7164 93
cluster_4.pdb ( medoid) 21.9213 7.61815 33.6851 167
cluster_5.pdb ( medoid) 21.2407 8.33304 38.8069 177
cluster_6.pdb ( medoid) 17.7852 4.49813 24.416 80
cluster_7.pdb ( medoid) 14.8589 9.96039 42.7846 148
cluster_8.pdb ( medoid) 9.8518 5.27822 40.8282 52
cluster_9.pdb ( medoid) 5.08262 9.24721 31.1683 47
cluster_10.pdb ( medoid) 3.72523 14.7642 37.2649 55
Laboratory of Theory of Biopolymers 2015