Project name: Pep8SK

Status: done

submitted: 2017-09-13 17:01:24, status changed: 2017-09-14 23:41:48

Project settings
Peptide sequence YPYAAKPA
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) 45.3257 2.66957 17.1216 121
cluster_2.pdb ( medoid) 23.3646 7.27597 33.468 170
cluster_3.pdb ( medoid) 19.1701 4.48614 29.7957 86
cluster_4.pdb ( medoid) 12.5 9.28004 34.9471 116
cluster_5.pdb ( medoid) 12.076 6.7075 15.015 81
cluster_6.pdb ( medoid) 8.38141 11.5732 38.9016 97
cluster_7.pdb ( medoid) 7.66446 8.21976 27.9006 63
cluster_8.pdb ( medoid) 6.96892 14.3494 40.2727 100
cluster_9.pdb ( medoid) 6.25919 16.296 41.8459 102
cluster_10.pdb ( medoid) 3.93045 16.2831 48.7301 64

Laboratory of Theory of Biopolymers 2015