Project name: 1QBH unbound default A AIAYFIPD ss: CEEEECCC

Status: done

submitted: 2015-02-20 17:44:34, status changed: 2015-03-13 11:04:55

Project settings
Peptide sequence AIAYFIPD
Simulation mc cycles50
Peptide secondary structure CEEEECCC
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) 40.8206 2.98869 7.09538 122
cluster_2.pdb ( medoid) 28.7844 4.75952 25.4849 137
cluster_3.pdb ( medoid) 27.6828 5.12954 16.9415 142
cluster_4.pdb ( medoid) 20.863 3.54695 12.726 74
cluster_5.pdb ( medoid) 19.5776 5.00573 15.3055 98
cluster_6.pdb ( medoid) 14.0081 8.35234 25.2819 117
cluster_7.pdb ( medoid) 11.0074 8.7214 18.8447 96
cluster_8.pdb ( medoid) 10.8179 6.65565 18.0768 72
cluster_9.pdb ( medoid) 7.9655 8.03465 21.2138 64
cluster_10.pdb ( medoid) 5.62615 13.8638 28.7045 78
Laboratory of Theory of Biopolymers 2015