Project name: 3EKK unbound default 2 run A YNPYPEDYGDIEIG ss: CCCCHHHCCCCCCC

Status: done

submitted: 2015-02-25 18:46:59, status changed: 2015-03-13 11:15:03

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_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.
replica_1 Download
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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) 44.0997 2.33562 15.125 103
cluster_2.pdb ( medoid) 39.2555 2.59836 19.6857 102
cluster_3.pdb ( medoid) 20.2952 4.73019 19.766 96
cluster_4.pdb ( medoid) 19.3593 10.2793 21.5622 199
cluster_5.pdb ( medoid) 18.4141 6.62535 23.426 122
cluster_6.pdb ( medoid) 14.1047 9.7131 23.4764 137
cluster_7.pdb ( medoid) 9.77519 10.4346 24.1863 102
cluster_8.pdb ( medoid) 8.46019 7.21024 17.7639 61
cluster_9.pdb ( medoid) 5.5537 10.4435 23.7258 58
cluster_10.pdb ( medoid) 3.22513 6.20131 18.7726 20
Laboratory of Theory of Biopolymers 2015