Project name: 1H1R unbound default 2 run B HTLKGRRLVFDN ss: CCCCCCCCCCCC

Status: done

submitted: 2015-02-25 18:46:54, status changed: 2015-03-13 11:18:26

Project settings
Peptide sequence HTLKGRRLVFDN
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCCC
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
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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
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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) 53.0751 2.88271 18.8219 153
cluster_2.pdb ( medoid) 40.317 4.96069 32.9884 200
cluster_3.pdb ( medoid) 39.7082 2.97168 8.213 118
cluster_4.pdb ( medoid) 32.394 2.74742 5.78004 89
cluster_5.pdb ( medoid) 27.8453 2.69345 15.7878 75
cluster_6.pdb ( medoid) 26.6262 3.45524 12.1054 92
cluster_7.pdb ( medoid) 23.4209 3.80002 13.5117 89
cluster_8.pdb ( medoid) 9.68872 5.77991 32.8611 56
cluster_9.pdb ( medoid) 6.7573 11.839 34.9992 80
cluster_10.pdb ( medoid) 2.69643 17.8013 37.8598 48
Laboratory of Theory of Biopolymers 2015