Project name: 2pv2 bound default 3 runAB NFTLKFWDIFRK ss: CCHHHHHHHHCC

Status: done

submitted: 2015-02-23 11:19:18, status changed: 2015-03-13 11:31:30

Project settings
Protein sequence(s) TELNLSHILIPLPENPTSDQVNEAESQARAIVDQARNGADFGKLAIAHSADQQALNGGQMGWGRIQELPGIFAQALSTAKKGDIVGPIRSGVGFHILKVNDLRTELNLSHILIPLPENPTSDQVNEAESQARAIVDQARNGADFGKLAIAHSADQQALNGGQMGWGRIQELPGIFAQALSTAKKGDIVGPIRSGVGFHILKVNDLR input pdb
Peptide sequence NFTLKFWDIFRK
Simulation mc cycles50
Peptide secondary structure CCHHHHHHHHCC
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
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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
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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_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) 67.627 1.3604 5.17838 92
cluster_2.pdb ( medoid) 54.7033 6.78204 40.4528 371
cluster_3.pdb ( medoid) 33.0095 1.78736 6.19668 59
cluster_4.pdb ( medoid) 28.1094 4.34019 10.2368 122
cluster_5.pdb ( medoid) 8.50586 5.64317 17.8702 48
cluster_6.pdb ( medoid) 6.56322 8.0753 32.6825 53
cluster_7.pdb ( medoid) 5.23377 17.7692 43.3468 93
cluster_8.pdb ( medoid) 4.16613 15.1219 33.2403 63
cluster_9.pdb ( medoid) 3.04178 17.7528 41.7543 54
cluster_10.pdb ( medoid) 2.73625 16.4458 37.6021 45
Laboratory of Theory of Biopolymers 2015