Project name: LCAT_peptide_122-142

Status: done

submitted: 2017-09-12 14:24:35, status changed: 2017-09-13 18:00:31

Project settings
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCCCCCCCCCCCC
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
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.
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) 31.5837 1.93138 16.6069 61
cluster_2.pdb ( medoid) 20.8245 5.52235 35.7545 115
cluster_3.pdb ( medoid) 15.0219 6.59038 32.6491 99
cluster_4.pdb ( medoid) 14.881 8.06398 25.7851 120
cluster_5.pdb ( medoid) 14.4526 8.51059 30.1014 123
cluster_6.pdb ( medoid) 14.4294 9.07869 40.3528 131
cluster_7.pdb ( medoid) 13.3935 4.85311 30.8662 65
cluster_8.pdb ( medoid) 12.9168 12.0773 36.759 156
cluster_9.pdb ( medoid) 5.35698 9.33362 30.4495 50
cluster_10.pdb ( medoid) 3.84809 20.7895 48.1384 80

Laboratory of Theory of Biopolymers 2015