Project name: 1cka bound default A PPPALPPKK ss: CCCCCCCCC

Status: done

submitted: 2015-02-19 18:28:10, status changed: 2015-03-13 11:14:51

Project settings
Protein sequence(s) AEYVRALFDFNGNDEEDLPFKKGDILRIRDKPEEQWWNAEDSEGKRGMIPVPYVEKY input pdb
Peptide sequence PPPALPPKK
Simulation mc cycles50
Peptide secondary structure CCCCCCCCC
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
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model_7 Download
model_8 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) 34.4584 2.17654 7.22611 75
cluster_2.pdb ( medoid) 30.2686 3.66717 8.35373 111
cluster_3.pdb ( medoid) 26.4635 6.15942 16.3818 163
cluster_4.pdb ( medoid) 24.0012 3.54149 7.33866 85
cluster_5.pdb ( medoid) 21.5819 3.33612 8.06621 72
cluster_6.pdb ( medoid) 20.4573 6.06141 20.8616 124
cluster_7.pdb ( medoid) 18.926 3.1174 10.9197 59
cluster_8.pdb ( medoid) 14.5992 6.71269 14.0792 98
cluster_9.pdb ( medoid) 11.5802 12.6078 30.2579 146
cluster_10.pdb ( medoid) 9.58484 6.99021 21.9958 67
Laboratory of Theory of Biopolymers 2015