Project name: 1jbu bound default 2 runH EEWEVLCWTWETCER ss: CCCEEEECCCCCCCC

Status: done

submitted: 2015-02-23 11:18:26, status changed: 2015-03-13 11:02:42

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_3 View
model_4 View
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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) 24.2087 4.33727 26.5079 105
cluster_2.pdb ( medoid) 22.0462 6.16886 21.3124 136
cluster_3.pdb ( medoid) 14.6909 5.10519 20.3764 75
cluster_4.pdb ( medoid) 13.8 9.42031 25.6024 130
cluster_5.pdb ( medoid) 9.76577 14.9502 44.3661 146
cluster_6.pdb ( medoid) 9.13733 12.3669 36.2136 113
cluster_7.pdb ( medoid) 8.57442 12.5956 35.0917 108
cluster_8.pdb ( medoid) 7.54826 10.3335 31.4186 78
cluster_9.pdb ( medoid) 6.64017 12.4997 37.2801 83
cluster_10.pdb ( medoid) 2.16441 12.0125 25.63 26
Laboratory of Theory of Biopolymers 2015