Project name: 1H1R unbound default 3 run B HTLKGRRLVFDN ss: CCCCCCCCCCCC

Status: done

submitted: 2015-02-25 18:47:38, status changed: 2015-03-13 11:22:19

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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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_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) 50.2059 3.98359 8.36871 200
cluster_2.pdb ( medoid) 30.7205 4.85019 9.82635 149
cluster_3.pdb ( medoid) 29.3372 5.38565 28.5511 158
cluster_4.pdb ( medoid) 26.4338 1.70237 5.62269 45
cluster_5.pdb ( medoid) 26.0836 3.71881 8.56838 97
cluster_6.pdb ( medoid) 23.711 4.8079 14.4536 114
cluster_7.pdb ( medoid) 21.1874 4.531 9.28988 96
cluster_8.pdb ( medoid) 16.5206 3.75288 10.8013 62
cluster_9.pdb ( medoid) 9.71529 5.24946 12.9974 51
cluster_10.pdb ( medoid) 2.88715 9.69813 29.4134 28
Laboratory of Theory of Biopolymers 2015