Project name: 2h9m bound default 2 runC ARTKQ ss: CCCCC

Status: done

submitted: 2015-02-23 11:18:40, status changed: 2015-03-13 11:13:42

Project settings
Protein sequence(s) VKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC input pdb
Peptide sequence ARTKQ
Simulation mc cycles50
Peptide secondary structure CCCCC
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_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) 38.5902 7.9813 44.0195 308
cluster_2.pdb ( medoid) 37.4811 5.89631 28.9698 221
cluster_3.pdb ( medoid) 22.5231 2.21995 8.15894 50
cluster_4.pdb ( medoid) 20.6707 1.64484 4.89187 34
cluster_5.pdb ( medoid) 16.7808 5.42285 21.753 91
cluster_6.pdb ( medoid) 16.71 1.25673 6.33636 21
cluster_7.pdb ( medoid) 10.4226 9.30669 25.5055 97
cluster_8.pdb ( medoid) 8.53165 12.0727 36.3843 103
cluster_9.pdb ( medoid) 5.12162 7.81002 14.3675 40
cluster_10.pdb ( medoid) 2.22146 15.7554 37.8123 35
Laboratory of Theory of Biopolymers 2015