Project name: 1PYW unbound default 3 run AB GELIGTLNAAKVPAD ss: CCCCCCCCCCCCCCC

Status: done

submitted: 2015-02-25 18:47:31, status changed: 2015-03-13 11:08:42

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
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) 25.7796 3.45235 16.5891 89
cluster_2.pdb ( medoid) 23.9984 5.91707 20.4797 142
cluster_3.pdb ( medoid) 21.8916 4.9334 18.8083 108
cluster_4.pdb ( medoid) 18.4494 6.12488 27.586 113
cluster_5.pdb ( medoid) 18.0624 5.20418 17.3254 94
cluster_6.pdb ( medoid) 10.2281 12.319 42.3927 126
cluster_7.pdb ( medoid) 6.52789 6.28075 11.5699 41
cluster_8.pdb ( medoid) 6.31277 11.247 27.4011 71
cluster_9.pdb ( medoid) 4.70384 14.6689 29.7359 69
cluster_10.pdb ( medoid) 4.00198 11.7442 31.9442 47
Laboratory of Theory of Biopolymers 2015