Project name: JSLEE_26

Status: done

submitted: 2023-11-29 01:53:38, status changed: 2023-11-29 03:50:52

Project settings
Simulation mc cycles50
Flexible regions
92:A - 99:A
Unlikely to bind regions
159:A - 181:A
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) 33.7259 3.20229 24.3656 108
cluster_2.pdb ( medoid) 18.2276 11.3016 24.5275 206
cluster_3.pdb ( medoid) 16.7643 5.24925 15.6802 88
cluster_4.pdb ( medoid) 13.5722 10.9783 27.6297 149
cluster_5.pdb ( medoid) 13.0295 11.5123 28.6573 150
cluster_6.pdb ( medoid) 12.4523 8.11095 24.8872 101
cluster_7.pdb ( medoid) 6.58107 9.26901 17.3033 61
cluster_8.pdb ( medoid) 4.6648 13.9341 25.7432 65
cluster_9.pdb ( medoid) 3.03267 10.5518 19.4377 32
cluster_10.pdb ( medoid) 2.92687 13.6665 29.0191 40