Project name: 3bu3 bound default 3 runA YNPYPEDYGDIEIG ss: CCCCHHHCEEEEEC

Status: done

submitted: 2015-02-23 11:19:20, status changed: 2015-03-13 11:21:58

Project settings
Peptide sequence YNPYPEDYGDIEIG
Simulation mc cycles50
Peptide secondary structure CCCCHHHCEEEEEC
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
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model_7 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
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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) 44.6894 2.43906 25.6348 109
cluster_2.pdb ( medoid) 35.3167 3.11468 14.7818 110
cluster_3.pdb ( medoid) 27.8667 4.5933 10.9569 128
cluster_4.pdb ( medoid) 22.4014 7.18706 28.2661 161
cluster_5.pdb ( medoid) 16.4673 6.43699 23.4005 106
cluster_6.pdb ( medoid) 12.9048 5.81179 16.4314 75
cluster_7.pdb ( medoid) 8.52215 7.62718 14.6187 65
cluster_8.pdb ( medoid) 7.4821 11.0931 20.2855 83
cluster_9.pdb ( medoid) 7.21168 9.84514 24.1071 71
cluster_10.pdb ( medoid) 6.8593 13.4124 26.2394 92
Laboratory of Theory of Biopolymers 2015