Project name: Pep8SD

Status: done

submitted: 2017-09-13 17:02:16, status changed: 2017-09-14 23:29:17

Project settings
Peptide sequence YPYAADPA
Simulation mc cycles100
Peptide secondary structure psipred CCCCCCCC
Flexible regions
195:A - 217:A
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) 67.6963 1.80217 11.707 122
cluster_2.pdb ( medoid) 23.1943 6.42399 18.7734 149
cluster_3.pdb ( medoid) 23.1604 4.66313 14.9433 108
cluster_4.pdb ( medoid) 19.3442 5.78985 41.5592 112
cluster_5.pdb ( medoid) 14.2965 5.94552 24.1474 85
cluster_6.pdb ( medoid) 12.8587 7.3102 18.1144 94
cluster_7.pdb ( medoid) 11.6358 4.81274 9.46623 56
cluster_8.pdb ( medoid) 10.6426 5.73171 13.0479 61
cluster_9.pdb ( medoid) 10.0237 14.1664 35.3483 142
cluster_10.pdb ( medoid) 3.72751 19.0476 47.5926 71

Laboratory of Theory of Biopolymers 2015