Project name: 3bfq bound default 2 runG ADSTITIRGYVRDNR ss: CCEEEEEEEEEECCC

Status: done

submitted: 2015-02-23 11:18:45, status changed: 2015-03-13 11:01:47

Project settings
Peptide sequence ADSTITIRGYVRDNR
Simulation mc cycles50
Peptide secondary structure CCEEEEEEEEEECCC
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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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
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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) 73.4448 1.36157 2.58164 100
cluster_2.pdb ( medoid) 34.3288 2.91301 7.12776 100
cluster_3.pdb ( medoid) 18.4462 8.13173 27.567 150
cluster_4.pdb ( medoid) 16.4527 8.26611 25.5426 136
cluster_5.pdb ( medoid) 10.9628 13.3177 36.0124 146
cluster_6.pdb ( medoid) 9.55659 12.0336 31.0452 115
cluster_7.pdb ( medoid) 9.47636 8.12548 29.3628 77
cluster_8.pdb ( medoid) 9.38149 5.86261 24.1942 55
cluster_9.pdb ( medoid) 6.44058 13.5081 32.4283 87
cluster_10.pdb ( medoid) 4.81321 7.06389 25.2676 34
Laboratory of Theory of Biopolymers 2015