Project name: 3EKK unbound default 3 run A YNPYPEDYGDIEIG ss: CCCCHHHCCCCCCC

Status: done

submitted: 2015-02-25 18:47:42, status changed: 2015-03-13 11:17:59

Project settings
Peptide sequence YNPYPEDYGDIEIG
Simulation mc cycles50
Peptide secondary structure CCCCHHHCCCCCCC
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
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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
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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
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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) 30.0886 9.27263 42.1046 279
cluster_2.pdb ( medoid) 22.4294 6.73224 41.252 151
cluster_3.pdb ( medoid) 18.1922 5.11209 19.7054 93
cluster_4.pdb ( medoid) 17.6322 4.48043 13.6786 79
cluster_5.pdb ( medoid) 15.389 7.73281 46.1721 119
cluster_6.pdb ( medoid) 13.7604 6.90386 17.4472 95
cluster_7.pdb ( medoid) 10.066 4.17246 15.691 42
cluster_8.pdb ( medoid) 9.74204 9.34096 24.6153 91
cluster_9.pdb ( medoid) 4.26499 6.79955 13.3477 29
cluster_10.pdb ( medoid) 1.58252 13.9019 62.2356 22
Laboratory of Theory of Biopolymers 2015