Project name: 3NSQ unbound default A HKILHRLLQD ss: CHHHHHHHHC

Status: done

submitted: 2015-02-20 17:44:49, status changed: 2015-03-13 10:53:54

Project settings
Peptide sequence HKILHRLLQD
Simulation mc cycles50
Peptide secondary structure CHHHHHHHHC
Flexible regions
Unlikely to bind regions
Re-submit project
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
model_2 Download
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model_4 Download
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model_6 Download
model_7 Download
model_8 Download
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model_10 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.
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) 49.2578 2.78128 10.0931 137
cluster_2.pdb ( medoid) 42.5024 2.04694 7.60542 87
cluster_3.pdb ( medoid) 35.7887 5.47659 26.9177 196
cluster_4.pdb ( medoid) 27.0143 4.10894 9.7881 111
cluster_5.pdb ( medoid) 24.3984 2.86904 5.91104 70
cluster_6.pdb ( medoid) 20.4824 2.05054 9.81639 42
cluster_7.pdb ( medoid) 15.3534 5.0803 14.821 78
cluster_8.pdb ( medoid) 13.8011 7.3907 17.4154 102
cluster_9.pdb ( medoid) 11.2229 10.6034 29.837 119
cluster_10.pdb ( medoid) 10.0001 5.79995 19.4289 58
Laboratory of Theory of Biopolymers 2015