Project name: 1QBH unbound default 2 run A AIAYFIPD ss: CEEEECCC

Status: done

submitted: 2015-02-25 18:46:47, status changed: 2015-03-13 11:29:48

Project settings
Peptide sequence AIAYFIPD
Simulation mc cycles50
Peptide secondary structure CEEEECCC
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) 36.6717 3.81765 22.9846 140
cluster_2.pdb ( medoid) 29.714 3.46638 9.30924 103
cluster_3.pdb ( medoid) 24.2272 4.95311 18.2598 120
cluster_4.pdb ( medoid) 21.8914 7.94834 18.8245 174
cluster_5.pdb ( medoid) 18.8311 4.99174 17.6413 94
cluster_6.pdb ( medoid) 12.3948 7.01908 24.4256 87
cluster_7.pdb ( medoid) 9.45598 7.71999 17.213 73
cluster_8.pdb ( medoid) 9.33184 10.5017 22.7001 98
cluster_9.pdb ( medoid) 7.52438 9.03729 27.2463 68
cluster_10.pdb ( medoid) 4.23692 10.1489 28.3507 43
Laboratory of Theory of Biopolymers 2015