Project name: 1jwg bound default 3 runB DLLHI ss: CCCCC

Status: done

submitted: 2015-02-23 11:19:01, status changed: 2015-03-13 11:04:34

Project settings
Protein sequence(s) PETLEARINRATNPLNKELDWASINGFCEQLNEDFEGPPLATRLLAHKIQSPQEWEAIQALTVLETCMKSCGKRFHDEVGKFRFLNELIKVVSPKYLGSRTSEKVKNKILELLYSWTVGLPEEVKIAEAYQMLKKQGIVK input pdb
Peptide sequence DLLHI
Simulation mc cycles50
Peptide secondary structure CCCCC
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
model_1 Download
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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) 47.8418 6.08254 17.6967 291
cluster_2.pdb ( medoid) 34.1663 4.0098 25.9896 137
cluster_3.pdb ( medoid) 32.4075 4.31998 10.9874 140
cluster_4.pdb ( medoid) 30.8277 3.53578 9.60191 109
cluster_5.pdb ( medoid) 25.6481 2.88521 11.2047 74
cluster_6.pdb ( medoid) 14.5679 5.01103 14.8642 73
cluster_7.pdb ( medoid) 12.4297 6.75799 20.5398 84
cluster_8.pdb ( medoid) 9.89836 3.53594 19.8035 35
cluster_9.pdb ( medoid) 3.86028 9.84384 24.0938 38
cluster_10.pdb ( medoid) 3.31126 5.738 13.5567 19
Laboratory of Theory of Biopolymers 2015