Project name: 2E45 unbound default 2 run A PPPPPPPPPL ss: CCCCCCCCCC

Status: done

submitted: 2015-02-25 18:46:56, status changed: 2015-03-13 10:59:08

Project settings
Protein sequence(s) DSFWNPNAFETDSDLPAGWMRVQDTSGTYYWHIPTGTTQWEPPGRASPSQ 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
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model_6 Download
model_7 Download
model_8 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) 41.8241 2.70179 14.3465 113
cluster_2.pdb ( medoid) 28.3966 4.12021 13.7389 117
cluster_3.pdb ( medoid) 23.1588 8.46331 20.096 196
cluster_4.pdb ( medoid) 19.2976 7.09933 15.3584 137
cluster_5.pdb ( medoid) 15.3584 7.55288 18.447 116
cluster_6.pdb ( medoid) 12.0298 4.65512 10.1249 56
cluster_7.pdb ( medoid) 11.0071 7.35888 16.8627 81
cluster_8.pdb ( medoid) 9.28335 5.06283 14.393 47
cluster_9.pdb ( medoid) 9.04475 6.96536 17.9004 63
cluster_10.pdb ( medoid) 7.38425 10.0213 22.0699 74
Laboratory of Theory of Biopolymers 2015