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

Status: done

submitted: 2015-02-23 11:19:19, status changed: 2015-03-13 10:52:48

Project settings
Protein sequence(s) AKPCTVSTTNATVDLGDLYSFSLMSAGAASAWHDVALELTNCPVGTSRVTASFSGAADSTGYYKNQGTAQNIQLELQDDSGNTLNTGATKTVQVDDSSQSAHFPLQVRALTVNGGATQGTIQAVISITYTYS input pdb
Peptide sequence ADSTITIRGYVRDNR
Simulation mc cycles50
Peptide secondary structure CCEEEEEEEEEECCC
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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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_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) 59.533 3.51066 26.9372 209
cluster_2.pdb ( medoid) 32.2449 3.87658 20.9914 125
cluster_3.pdb ( medoid) 23.0928 4.76339 10.2678 110
cluster_4.pdb ( medoid) 17.337 5.82569 24.8583 101
cluster_5.pdb ( medoid) 15.7257 6.29545 25.2986 99
cluster_6.pdb ( medoid) 13.3856 8.96488 27.5339 120
cluster_7.pdb ( medoid) 7.14208 8.96098 23.3067 64
cluster_8.pdb ( medoid) 6.06548 11.211 27.1003 68
cluster_9.pdb ( medoid) 5.29424 12.8441 30.0676 68
cluster_10.pdb ( medoid) 2.62314 13.724 32.341 36
Laboratory of Theory of Biopolymers 2015