Project name: 417-423E-DENV

Status: done

submitted: 2017-09-14 06:22:42, status changed: 2017-09-14 07:21:14

Project settings
Protein sequence(s) TYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTAVNIQPPPVNRNLKPDR input pdb
Peptide sequence YTIVITP
Simulation mc cycles50
Peptide secondary structure psipred CEEEECC
Flexible regions
Unlikely to bind regions
Re-submit project
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) 30.1741 3.11526 12.0104 94
cluster_2.pdb ( medoid) 25.4631 5.53742 19.3015 141
cluster_3.pdb ( medoid) 21.8226 6.36955 32.9675 139
cluster_4.pdb ( medoid) 19.0498 6.77173 20.9612 129
cluster_5.pdb ( medoid) 12.8496 13.1522 28.7292 169
cluster_6.pdb ( medoid) 11.4868 7.83505 23.3364 90
cluster_7.pdb ( medoid) 9.61917 7.48505 21.9094 72
cluster_8.pdb ( medoid) 8.70865 4.59313 13.2952 40
cluster_9.pdb ( medoid) 7.98096 10.7756 25.5816 86
cluster_10.pdb ( medoid) 3.38797 11.8065 25.0276 40

 
Laboratory of Theory of Biopolymers 2015