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

Status: done

submitted: 2015-02-25 18:47:41, status changed: 2015-03-13 10:52:24

Project settings
Protein sequence(s) DPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEML input pdb
Peptide sequence HKILHRLLQD
Simulation mc cycles50
Peptide secondary structure CHHHHHHHHC
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_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) 76.2136 1.33834 6.54181 102
cluster_2.pdb ( medoid) 51.9572 3.1372 11.7841 163
cluster_3.pdb ( medoid) 36.841 2.3615 6.97329 87
cluster_4.pdb ( medoid) 27.3187 5.27112 12.7575 144
cluster_5.pdb ( medoid) 23.1418 5.14221 10.1598 119
cluster_6.pdb ( medoid) 18.8122 4.19939 22.3773 79
cluster_7.pdb ( medoid) 14.7544 6.43874 30.3902 95
cluster_8.pdb ( medoid) 13.0992 7.17602 14.6826 94
cluster_9.pdb ( medoid) 12.0314 4.82074 13.8945 58
cluster_10.pdb ( medoid) 11.7484 5.02194 14.1356 59
Laboratory of Theory of Biopolymers 2015