Project name: 1PYW unbound default 2 run AB GELIGTLNAAKVPAD ss: CCCCCCCCCCCCCCC

Status: done

submitted: 2015-02-25 18:46:47, status changed: 2015-03-13 10:51:35

Project settings
Peptide sequence GELIGTLNAAKVPAD
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCCCCCC
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
model_1 Download
model_2 Download
model_3 Download
model_4 Download
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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) 42.2618 4.87437 42.8056 206
cluster_2.pdb ( medoid) 33.5723 3.69352 27.2173 124
cluster_3.pdb ( medoid) 32.7466 2.01548 5.94933 66
cluster_4.pdb ( medoid) 24.362 3.44799 7.7579 84
cluster_5.pdb ( medoid) 22.6708 5.64604 20.1807 128
cluster_6.pdb ( medoid) 17.1533 5.94638 15.6756 102
cluster_7.pdb ( medoid) 9.25693 4.96925 10.532 46
cluster_8.pdb ( medoid) 7.43116 11.0346 51.5542 82
cluster_9.pdb ( medoid) 7.01357 15.969 47.1604 112
cluster_10.pdb ( medoid) 2.07915 24.0482 53.2482 50
Laboratory of Theory of Biopolymers 2015