Project name: 3bu3 bound default 2 runA YNPYPEDYGDIEIG ss: CCCCHHHCEEEEEC

Status: done

submitted: 2015-02-23 11:18:45, status changed: 2015-03-13 11:28:07

Project settings
Peptide sequence YNPYPEDYGDIEIG
Simulation mc cycles50
Peptide secondary structure CCCCHHHCEEEEEC
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

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) 27.2265 4.99513 18.5149 136
cluster_2.pdb ( medoid) 22.5207 5.46165 27.0335 123
cluster_3.pdb ( medoid) 18.6721 6.64093 29.1911 124
cluster_4.pdb ( medoid) 15.8109 8.53839 31.2406 135
cluster_5.pdb ( medoid) 13.4534 8.99403 20.5762 121
cluster_6.pdb ( medoid) 12.7423 6.12135 20.5105 78
cluster_7.pdb ( medoid) 10.8507 7.74142 22.8277 84
cluster_8.pdb ( medoid) 9.04388 11.2783 31.6168 102
cluster_9.pdb ( medoid) 7.48897 6.67649 15.3871 50
cluster_10.pdb ( medoid) 4.3718 10.7507 46.2479 47
Laboratory of Theory of Biopolymers 2015