Project name: 2d0n bound default 3 runC PSIDRSTKP ss: CCCCHHHCC

Status: done

submitted: 2015-02-23 11:19:12, status changed: 2015-03-13 11:10:03

Project settings
Protein sequence(s) PWARALYDFEALEEDELGFRSGEVVEVLDSSNPSWWTGRLHNKLGLFPANYVAPMM input pdb
Peptide sequence PSIDRSTKP
Simulation mc cycles50
Peptide secondary structure CCCCHHHCC
Flexible regions
Unlikely to bind regions
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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
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model_4 Download
model_5 Download
model_6 Download
model_7 Download
model_8 Download
model_9 Download
model_10 Download
 

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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) 37.9647 5.00465 13.8174 190
cluster_2.pdb ( medoid) 26.2747 5.40444 19.144 142
cluster_3.pdb ( medoid) 17.6317 5.78504 13.5575 102
cluster_4.pdb ( medoid) 16.4403 5.04856 17.1974 83
cluster_5.pdb ( medoid) 10.9608 8.75848 20.9837 96
cluster_6.pdb ( medoid) 10.132 10.5606 23.4135 107
cluster_7.pdb ( medoid) 9.85797 6.79653 16.9423 67
cluster_8.pdb ( medoid) 9.63141 9.03295 21.0574 87
cluster_9.pdb ( medoid) 7.10435 8.72704 26.8094 62
cluster_10.pdb ( medoid) 5.02123 12.7459 31.6397 64
Laboratory of Theory of Biopolymers 2015