Project name: Docking project

Status: done

submitted: 2017-12-05 12:48:26, status changed: 2017-12-05 22:14:03

Project settings
Peptide sequence VSQEKLQAEAQ
Simulation mc cycles50
Peptide secondary structure psipred CCHHHHHHHHC
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

Download all files
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.
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) 26.0719 4.60266 32.1936 120
cluster_2.pdb ( medoid) 24.4231 11.4645 47.9892 280
cluster_3.pdb ( medoid) 21.7258 6.90425 39.1785 150
cluster_4.pdb ( medoid) 14.6537 5.04991 36.5591 74
cluster_5.pdb ( medoid) 14.3967 8.33527 45.1894 120
cluster_6.pdb ( medoid) 12.1726 8.29735 28.9691 101
cluster_7.pdb ( medoid) 6.30206 4.60167 8.91536 29
cluster_8.pdb ( medoid) 6.0824 10.0289 22.287 61
cluster_9.pdb ( medoid) 5.76551 6.93781 26.2724 40
cluster_10.pdb ( medoid) 2.94742 8.482 14.896 25

Laboratory of Theory of Biopolymers 2015