Project name: 1awr bound default 2 runC HAGPIA ss: CCCCCC

Status: done

submitted: 2015-02-23 11:18:23, status changed: 2015-03-13 11:31:42

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) 52.9647 3.05864 22.5043 162
cluster_2.pdb ( medoid) 29.5319 4.87609 29.6852 144
cluster_3.pdb ( medoid) 24.4941 4.73584 24.3342 116
cluster_4.pdb ( medoid) 20.9177 4.20696 17.4474 88
cluster_5.pdb ( medoid) 17.8074 4.09942 18.1843 73
cluster_6.pdb ( medoid) 17.0778 7.02667 26.0691 120
cluster_7.pdb ( medoid) 9.12901 12.2686 39.7736 112
cluster_8.pdb ( medoid) 6.32507 15.3358 37.4032 97
cluster_9.pdb ( medoid) 3.37367 16.8955 36.5341 57
cluster_10.pdb ( medoid) 2.19188 14.1431 31.9343 31
Laboratory of Theory of Biopolymers 2015