Project name: 1B9K unbound default 3 run A PKGWVTFE ss: CCCCCCCC

Status: done

submitted: 2015-02-25 18:47:42, status changed: 2015-03-13 11:17:50

Project settings
Peptide sequence PKGWVTFE
Simulation mc cycles50
Peptide secondary structure CCCCCCCC
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
model_2 Download
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model_4 Download
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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.
replica_1 Download
replica_2 Download
replica_3 Download
replica_4 Download
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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) 19.9219 6.37491 16.4484 127
cluster_2.pdb ( medoid) 19.0445 8.82145 37.4076 168
cluster_3.pdb ( medoid) 16.2606 8.85578 34.425 144
cluster_4.pdb ( medoid) 15.903 5.3449 28.307 85
cluster_5.pdb ( medoid) 14.4243 4.78359 18.573 69
cluster_6.pdb ( medoid) 13.2011 8.33262 23.132 110
cluster_7.pdb ( medoid) 10.6339 3.94963 16.1305 42
cluster_8.pdb ( medoid) 9.70453 4.63701 11.378 45
cluster_9.pdb ( medoid) 9.57188 13.477 41.4163 129
cluster_10.pdb ( medoid) 4.32452 18.7304 54.1686 81
Laboratory of Theory of Biopolymers 2015