Project name: 1cka bound default 2 runA PPPALPPKK ss: CCCCCCCCC

Status: done

submitted: 2015-02-23 11:18:23, status changed: 2015-03-13 11:31:26

Project settings
Protein sequence(s) AEYVRALFDFNGNDEEDLPFKKGDILRIRDKPEEQWWNAEDSEGKRGMIPVPYVEKY input pdb
Peptide sequence PPPALPPKK
Simulation mc cycles50
Peptide secondary structure CCCCCCCCC
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
model_3 Download
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) 24.8229 6.8888 22.6962 171
cluster_2.pdb ( medoid) 23.7077 7.84555 27.4396 186
cluster_3.pdb ( medoid) 16.9 4.79291 15.1851 81
cluster_4.pdb ( medoid) 13.982 6.15075 19.2835 86
cluster_5.pdb ( medoid) 13.1409 6.62053 20.019 87
cluster_6.pdb ( medoid) 12.5612 7.40373 21.6356 93
cluster_7.pdb ( medoid) 11.4139 8.4108 26.6464 96
cluster_8.pdb ( medoid) 8.25687 11.7478 25.1626 97
cluster_9.pdb ( medoid) 6.36123 10.6897 25.2654 68
cluster_10.pdb ( medoid) 5.46886 6.39987 11.6253 35
Laboratory of Theory of Biopolymers 2015