Project name: CLEC-2 PDPNpep

Status: done

submitted: 2017-09-12 12:55:37, status changed: 2017-09-13 12:08:35

Project settings
Protein sequence(s) SPCDTNNWRYYGDSCYGFFRHNLTWEESKQYCTDMNATLLKIDNRNIVEYIKARTHLIRWVGLSRQQKSNEEVWKWEDGSVISENMFEFLEDGKGNMNCAYFHNGKMHPTFCEENKHYLMCERRKAG input pdb
Peptide sequence NVATSHST
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCC
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.
Trajectories
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) 40.321 4.09216 13.4512 165
cluster_2.pdb ( medoid) 23.3948 5.21484 13.7526 122
cluster_3.pdb ( medoid) 20.7017 9.27458 20.4393 192
cluster_4.pdb ( medoid) 15.4679 5.36594 13.4624 83
cluster_5.pdb ( medoid) 14.6673 8.38598 31.5659 123
cluster_6.pdb ( medoid) 14.5052 6.68725 17.8697 97
cluster_7.pdb ( medoid) 12.7245 5.34404 15.5346 68
cluster_8.pdb ( medoid) 12.3259 5.67911 12.3754 70
cluster_9.pdb ( medoid) 9.06815 5.0727 15.3187 46
cluster_10.pdb ( medoid) 3.51258 9.6795 20.5083 34

 
Laboratory of Theory of Biopolymers 2015