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

Status: done

submitted: 2015-02-25 18:46:54, status changed: 2015-03-13 10:58:06

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
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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
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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) 58.3868 1.79835 18.1425 105
cluster_2.pdb ( medoid) 38.4548 3.90068 11.8627 150
cluster_3.pdb ( medoid) 33.3288 4.56062 12.8033 152
cluster_4.pdb ( medoid) 33.0921 7.91729 21.1839 262
cluster_5.pdb ( medoid) 24.2872 4.24092 18.2846 103
cluster_6.pdb ( medoid) 23.1093 5.92834 18.7298 137
cluster_7.pdb ( medoid) 8.25769 4.48067 15.1435 37
cluster_8.pdb ( medoid) 2.12345 11.7733 34.1865 25
cluster_9.pdb ( medoid) 1.50212 9.98586 18.7152 15
cluster_10.pdb ( medoid) 1.14756 12.1998 25.6771 14
Laboratory of Theory of Biopolymers 2015