Project name: 1jbu bound default 3 runH EEWEVLCWTWETCER ss: CCCEEEECCCCCCCC

Status: done

submitted: 2015-02-23 11:19:00, status changed: 2015-03-13 11:27:32

Project settings
Protein sequence(s) KVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWTALELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP input pdb
Peptide sequence EEWEVLCWTWETCER
Simulation mc cycles50
Peptide secondary structure CCCEEEECCCCCCCC
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
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model_4 View
model_5 View
model_6 View
model_7 View
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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
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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) 37.3386 1.68726 11.0058 63
cluster_2.pdb ( medoid) 17.9119 8.82097 32.2358 158
cluster_3.pdb ( medoid) 17.3973 5.00078 16.2323 87
cluster_4.pdb ( medoid) 13.6574 7.54172 25.4861 103
cluster_5.pdb ( medoid) 10.8732 16.1865 34.6185 176
cluster_6.pdb ( medoid) 7.06226 12.8854 36.6394 91
cluster_7.pdb ( medoid) 6.97084 7.31619 24.5228 51
cluster_8.pdb ( medoid) 6.80884 16.4492 35.9733 112
cluster_9.pdb ( medoid) 5.83894 14.7287 32.4499 86
cluster_10.pdb ( medoid) 4.59707 15.8797 31.5803 73
Laboratory of Theory of Biopolymers 2015