Project name: 3HAU unbound default 3 run AB RQVNFLG ss: CCCCCCC

Status: done

submitted: 2015-02-25 18:47:38, status changed: 2015-03-13 10:56:08

Project settings
Protein sequence(s) PQITLWKRPLVTIRIGGQLKEALLDTGADDTVIEELNLPGCWKPKLIGGIGGFIKVRQYDQIPVEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNFPQITLWKRPLVTIRIGGQLKEALLDTGADDTVIEELNLPGCWKPKLIGGIGGFIKVRQYDQIPVEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF input pdb
Peptide sequence RQVNFLG
Simulation mc cycles50
Peptide secondary structure CCCCCCC
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) 31.0515 3.05944 29.4238 95
cluster_2.pdb ( medoid) 26.3002 7.26231 35.191 191
cluster_3.pdb ( medoid) 24.1261 5.47125 27.6583 132
cluster_4.pdb ( medoid) 20.2294 4.64671 30.3505 94
cluster_5.pdb ( medoid) 18.1405 5.62278 29.4514 102
cluster_6.pdb ( medoid) 14.6988 9.93277 35.425 146
cluster_7.pdb ( medoid) 13.8111 5.358 31.4015 74
cluster_8.pdb ( medoid) 9.56386 10.7697 42.3496 103
cluster_9.pdb ( medoid) 5.36636 8.01288 37.2421 43
cluster_10.pdb ( medoid) 0.933966 21.4141 42.4291 20
Laboratory of Theory of Biopolymers 2015