Project name: 1awr bound default 3 runC HAGPIA ss: CCCCCC

Status: done

submitted: 2015-02-23 11:18:57, status changed: 2015-03-13 10:55:10

Project settings
Peptide sequence HAGPIA
Simulation mc cycles50
Peptide secondary structure CCCCCC
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) 48.5323 2.9877 25.9272 145
cluster_2.pdb ( medoid) 43.5212 4.11294 21.3006 179
cluster_3.pdb ( medoid) 27.291 4.76348 23.9992 130
cluster_4.pdb ( medoid) 24.801 3.79017 23.8877 94
cluster_5.pdb ( medoid) 17.9981 4.11155 26.4235 74
cluster_6.pdb ( medoid) 12.4163 6.12096 31.5579 76
cluster_7.pdb ( medoid) 7.49312 9.74227 33.2593 73
cluster_8.pdb ( medoid) 5.88345 17.5067 40.126 103
cluster_9.pdb ( medoid) 4.34692 19.7841 47.3337 86
cluster_10.pdb ( medoid) 2.87218 13.9267 30.3275 40
Laboratory of Theory of Biopolymers 2015