Project name: 2bba bound default 3 runA NYLFSPNGPIARAW ss: CCCCCCCCCCHHHC

Status: done

submitted: 2015-02-23 11:19:11, status changed: 2015-03-13 10:59:44

Project settings
Peptide sequence NYLFSPNGPIARAW
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCHHHC
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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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
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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) 30.6945 3.38823 7.00528 104
cluster_2.pdb ( medoid) 29.6747 2.46001 15.6775 73
cluster_3.pdb ( medoid) 20.4158 6.07374 18.7394 124
cluster_4.pdb ( medoid) 17.9806 3.2257 11.2125 58
cluster_5.pdb ( medoid) 15.6905 6.94688 24.7171 109
cluster_6.pdb ( medoid) 15.3045 10.9118 31.7219 167
cluster_7.pdb ( medoid) 15.0165 10.7215 32.0497 161
cluster_8.pdb ( medoid) 10.8842 7.80949 19.9173 85
cluster_9.pdb ( medoid) 9.43081 7.10438 12.6217 67
cluster_10.pdb ( medoid) 3.84006 13.5415 28.9001 52
Laboratory of Theory of Biopolymers 2015