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

Status: done

submitted: 2015-02-20 17:44:35, status changed: 2015-03-13 11:04:52

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
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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_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) 57.7779 3.06346 26.8247 177
cluster_2.pdb ( medoid) 33.6161 3.48047 6.23696 117
cluster_3.pdb ( medoid) 30.1704 2.18757 19.433 66
cluster_4.pdb ( medoid) 29.5423 6.93919 39.2314 205
cluster_5.pdb ( medoid) 26.4041 1.32555 3.8857 35
cluster_6.pdb ( medoid) 23.256 1.97799 6.34392 46
cluster_7.pdb ( medoid) 20.1477 3.07727 7.6676 62
cluster_8.pdb ( medoid) 9.37942 13.5403 47.1783 127
cluster_9.pdb ( medoid) 6.21421 19.6324 55.3859 122
cluster_10.pdb ( medoid) 2.69953 15.9287 40.2133 43
Laboratory of Theory of Biopolymers 2015