Project name: 1QBH unbound default 3 run A AIAYFIPD ss: CEEEECCC

Status: done

submitted: 2015-02-25 18:47:30, status changed: 2015-03-13 10:56:28

Project settings
Protein sequence(s) GSHMQTHAARMRTFMYWPSSVPVQPEQLASAGFYYVGRNDDVKCFCCDGGLRCWESGDDPWVEHAKWFPRCEFLIRMKGQEFVDEIQGRYPHLLEQLLSTS input pdb
Peptide sequence AIAYFIPD
Simulation mc cycles50
Peptide secondary structure CEEEECCC
Flexible regions
Unlikely to bind regions
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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
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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.
Trajectories
replica_1 Download
replica_2 Download
replica_3 Download
replica_4 Download
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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) 41.3553 4.42506 19.9063 183
cluster_2.pdb ( medoid) 33.6166 6.24692 25.3449 210
cluster_3.pdb ( medoid) 25.0236 3.23694 10.3386 81
cluster_4.pdb ( medoid) 16.157 3.89925 15.6132 63
cluster_5.pdb ( medoid) 15.981 6.82061 25.7236 109
cluster_6.pdb ( medoid) 13.5297 8.57374 26.2492 116
cluster_7.pdb ( medoid) 11.31 4.68612 23.9533 53
cluster_8.pdb ( medoid) 10.098 6.93206 19.6864 70
cluster_9.pdb ( medoid) 6.61025 10.2871 20.7421 68
cluster_10.pdb ( medoid) 3.26846 14.3798 27.4045 47
Laboratory of Theory of Biopolymers 2015