Project name: 2hpl bound default 3 runA DDLYG ss: CCCCC

Status: done

submitted: 2015-02-23 11:19:15, status changed: 2015-03-13 11:13:57

Project settings
Protein sequence(s) SASPAVAELCQNTPETFLEASKLLLTYADNILRNPSDEKYRSIRIGNTAFSTRLLPVRGAVECLFEMGFEEGETHLIFPKKASVEQLQKIRDLIAIERSS input pdb
Peptide sequence DDLYG
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
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model_6 Download
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) 39.5664 3.23507 16.4032 128
cluster_2.pdb ( medoid) 35.2103 4.68612 23.2888 165
cluster_3.pdb ( medoid) 31.1441 5.52271 27.3439 172
cluster_4.pdb ( medoid) 21.4352 6.39136 33.4667 137
cluster_5.pdb ( medoid) 20.2959 6.06033 26.8811 123
cluster_6.pdb ( medoid) 18.5121 4.42954 18.2098 82
cluster_7.pdb ( medoid) 15.7522 3.99945 11.1813 63
cluster_8.pdb ( medoid) 10.2074 4.40855 24.376 45
cluster_9.pdb ( medoid) 7.08955 7.19368 19.1889 51
cluster_10.pdb ( medoid) 2.14815 15.8276 35.7305 34
Laboratory of Theory of Biopolymers 2015