Project name: 2ds8 bound default 3 runB ALRVVK ss: CCEECC

Status: done

submitted: 2015-02-23 11:19:13, status changed: 2015-03-13 11:24:54

Project settings
Protein sequence(s) KLLYCSFCGKSQHEVRKLIAGPSVYICDECVDLCNDIIREE input pdb
Peptide sequence ALRVVK
Simulation mc cycles50
Peptide secondary structure CCEECC
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) 48.2959 3.51997 33.0332 170
cluster_2.pdb ( medoid) 35.7671 3.13137 7.32469 112
cluster_3.pdb ( medoid) 23.401 5.51259 13.8921 129
cluster_4.pdb ( medoid) 19.2494 6.54565 28.6568 126
cluster_5.pdb ( medoid) 19.0578 5.4046 13.8418 103
cluster_6.pdb ( medoid) 16.7721 6.43928 22.1853 108
cluster_7.pdb ( medoid) 13.205 4.31655 18.491 57
cluster_8.pdb ( medoid) 8.43902 6.16186 23.3423 52
cluster_9.pdb ( medoid) 7.37606 9.08344 25.7611 67
cluster_10.pdb ( medoid) 7.1172 10.6783 27.3423 76
Laboratory of Theory of Biopolymers 2015