Project name: Docking project

Status: done

submitted: 2017-12-07 14:40:56, status changed: 2017-12-07 21:44:29

Project settings
Simulation mc cycles50
Peptide secondary structure psipred CCCHHHHHHHHHHHHHHHHHCCCCCCCCCC
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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) 59.405 1.73386 14.5005 103
cluster_2.pdb ( medoid) 31.0527 2.86609 18.129 89
cluster_3.pdb ( medoid) 25.1838 2.50161 5.03204 63
cluster_4.pdb ( medoid) 19.6399 12.4237 27.0559 244
cluster_5.pdb ( medoid) 16.6298 8.23825 16.1398 137
cluster_6.pdb ( medoid) 13.2544 8.9027 20.7751 118
cluster_7.pdb ( medoid) 11.2081 9.10055 22.2649 102
cluster_8.pdb ( medoid) 6.25762 8.62947 17.6643 54
cluster_9.pdb ( medoid) 4.97625 10.2487 19.5144 51
cluster_10.pdb ( medoid) 3.46195 11.2653 23.4409 39

Laboratory of Theory of Biopolymers 2015