Project name: 2H14 unbound default 2 run A ARTKQ ss: CCCCC

Status: done

submitted: 2015-02-25 18:46:56, status changed: 2015-03-13 10:56:34

Project settings
Protein sequence(s) KPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC 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) 56.6321 3.23138 12.1899 183
cluster_2.pdb ( medoid) 40.5797 3.64715 11.486 148
cluster_3.pdb ( medoid) 14.5629 8.58345 28.947 125
cluster_4.pdb ( medoid) 14.3834 7.36963 32.4784 106
cluster_5.pdb ( medoid) 11.8634 12.4754 38.5925 148
cluster_6.pdb ( medoid) 11.68 5.73628 32.5875 67
cluster_7.pdb ( medoid) 5.41769 13.8435 36.6471 75
cluster_8.pdb ( medoid) 4.325 13.6416 36.2403 59
cluster_9.pdb ( medoid) 3.45165 15.355 34.2529 53
cluster_10.pdb ( medoid) 3.23768 11.1191 23.3916 36
Laboratory of Theory of Biopolymers 2015