Project name: 1czy bound default 3 runC PQQATDD ss: CEECCCC

Status: done

submitted: 2015-02-23 11:18:58, status changed: 2015-03-13 11:16:38

Project settings
Peptide sequence PQQATDD
Simulation mc cycles50
Peptide secondary structure CEECCCC
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) 40.8243 3.47832 18.1835 142
cluster_2.pdb ( medoid) 27.4424 6.12191 27.4093 168
cluster_3.pdb ( medoid) 22.8393 6.39248 17.0335 146
cluster_4.pdb ( medoid) 22.535 3.46129 18.9479 78
cluster_5.pdb ( medoid) 17.9983 6.61174 14.8012 119
cluster_6.pdb ( medoid) 12.2603 5.62791 23.9028 69
cluster_7.pdb ( medoid) 10.4948 7.81337 23.0709 82
cluster_8.pdb ( medoid) 10.3565 9.07641 32.9483 94
cluster_9.pdb ( medoid) 6.25277 8.79611 19.5032 55
cluster_10.pdb ( medoid) 6.10339 7.70064 15.5178 47
Laboratory of Theory of Biopolymers 2015