Project name: 406-412E_DENV

Status: done

submitted: 2017-09-14 06:24:23, status changed: 2017-09-14 07:22:14

Project settings
Protein sequence(s) TYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTAVNIQPPPVNRNLKPDR input pdb
Peptide sequence EGKVVQP
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCC
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) 32.1219 4.60744 15.6928 148
cluster_2.pdb ( medoid) 24.3516 8.33621 33.3528 203
cluster_3.pdb ( medoid) 22.935 6.67102 27.6644 153
cluster_4.pdb ( medoid) 16.1985 5.37088 28.7952 87
cluster_5.pdb ( medoid) 13.0379 5.52236 17.4189 72
cluster_6.pdb ( medoid) 10.8321 5.44676 14.792 59
cluster_7.pdb ( medoid) 6.1855 13.2568 27.9898 82
cluster_8.pdb ( medoid) 5.8744 11.5756 21.0558 68
cluster_9.pdb ( medoid) 5.70415 11.5705 23.235 66
cluster_10.pdb ( medoid) 5.15025 12.0382 32.551 62

 
Laboratory of Theory of Biopolymers 2015