Project name: 2ho2 bound default 3 runA PPPPPPPPPL ss: CCCCCCCCCC

Status: done

submitted: 2015-02-23 11:19:14, status changed: 2015-03-13 11:19:13

Project settings
Protein sequence(s) SDLPAGWMRVQDTSGTYYWHIPTGTTQWEPPGR input pdb
Peptide sequence PPPPPPPPPL
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCC
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.
Trajectories
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) 39.9009 2.55633 14.4536 102
cluster_2.pdb ( medoid) 36.6355 6.71479 18.6627 246
cluster_3.pdb ( medoid) 36.2607 3.83335 14.6853 139
cluster_4.pdb ( medoid) 25.8112 4.68788 16.7119 121
cluster_5.pdb ( medoid) 21.1511 5.1534 10.765 109
cluster_6.pdb ( medoid) 16.7708 7.51308 20.4279 126
cluster_7.pdb ( medoid) 6.75233 10.3668 21.3487 70
cluster_8.pdb ( medoid) 4.15575 8.90332 18.6862 37
cluster_9.pdb ( medoid) 3.72664 6.44012 11.7397 24
cluster_10.pdb ( medoid) 2.90181 8.95994 17.7089 26
Laboratory of Theory of Biopolymers 2015