Project name: 1JWF unbound default 3 run A DLLHI ss: CCCCC

Status: done

submitted: 2015-02-25 18:47:31, status changed: 2015-03-13 11:27:57

Project settings
Protein sequence(s) PETLEARINRATNPLNKELDWASINGFCEQLNEDFEGPPLATRLLAHKIQSPQEWEAIQALTVLETCMKSCGKRFHDEVGKFRFLNELIKVVSPKYLGSRTSEKVKNKILELLYSWTVGLPEEVKIAEAYQMLKKQGIV 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
model_2 Download
model_3 Download
model_4 Download
model_5 Download
model_6 Download
model_7 Download
model_8 Download
model_9 Download
model_10 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
replica_5 Download
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) 70.0551 1.49882 6.12783 105
cluster_2.pdb ( medoid) 53.2879 4.84162 22.6445 258
cluster_3.pdb ( medoid) 28.3746 4.89875 32.0761 139
cluster_4.pdb ( medoid) 26.8029 3.99211 14.0116 107
cluster_5.pdb ( medoid) 23.127 5.31846 18.067 123
cluster_6.pdb ( medoid) 14.4661 7.67311 30.6128 111
cluster_7.pdb ( medoid) 11.9635 7.4393 31.8495 89
cluster_8.pdb ( medoid) 6.89351 1.88583 6.19151 13
cluster_9.pdb ( medoid) 2.5891 6.56599 14.7645 17
cluster_10.pdb ( medoid) 2.52024 15.0779 38.0911 38
Laboratory of Theory of Biopolymers 2015