Project name: 1jbu bound default H EEWEVLCWTWETCER ss: CCCEEEECCCCCCCC

Status: done

submitted: 2015-02-19 18:28:13, status changed: 2015-03-13 11:18:41

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
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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
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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) 17.1237 11.0373 42.1843 189
cluster_2.pdb ( medoid) 16.686 11.0871 40.3116 185
cluster_3.pdb ( medoid) 16.4702 13.2967 33.0104 219
cluster_4.pdb ( medoid) 13.4799 3.33829 14.478 45
cluster_5.pdb ( medoid) 7.51362 8.38477 22.502 63
cluster_6.pdb ( medoid) 6.75773 12.4302 29.2585 84
cluster_7.pdb ( medoid) 6.12445 16.0014 40.707 98
cluster_8.pdb ( medoid) 4.15272 9.87305 20.9658 41
cluster_9.pdb ( medoid) 2.6987 19.6391 43.9509 53
cluster_10.pdb ( medoid) 1.7615 13.057 24.5227 23
Laboratory of Theory of Biopolymers 2015