Project name: 2J2I unbound default 3 run B KRRRHPSG ss: CCCCCCCC

Status: done

submitted: 2015-02-25 18:47:37, status changed: 2015-03-13 11:09:01

Project settings
Protein sequence(s) PLESQYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSGFSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIGGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLH input pdb
Peptide sequence KRRRHPSG
Simulation mc cycles50
Peptide secondary structure CCCCCCCC
Flexible regions
Unlikely to bind regions
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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
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model_4 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) 54.4897 4.58802 30.1279 250
cluster_2.pdb ( medoid) 40.629 2.83049 8.13873 115
cluster_3.pdb ( medoid) 24.9951 4.96098 34.6011 124
cluster_4.pdb ( medoid) 18.8639 7.36857 15.8347 139
cluster_5.pdb ( medoid) 13.4858 9.19489 36.3782 124
cluster_6.pdb ( medoid) 10.2959 5.9247 29.6807 61
cluster_7.pdb ( medoid) 7.77227 2.83058 5.95594 22
cluster_8.pdb ( medoid) 7.44541 4.29795 18.1759 32
cluster_9.pdb ( medoid) 6.49421 15.8603 43.8287 103
cluster_10.pdb ( medoid) 2.69047 11.1505 31.6337 30
Laboratory of Theory of Biopolymers 2015