Project name: 1IE9 unbound default 3 run A KNHPMLMNLLKD ss: CCCHHHHHHHCC

Status: done

submitted: 2015-02-25 18:47:40, status changed: 2015-03-13 10:59:40

Project settings
Peptide sequence KNHPMLMNLLKD
Simulation mc cycles50
Peptide secondary structure CCCHHHHHHHCC
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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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
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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
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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) 16.6601 5.04199 22.2879 84
cluster_2.pdb ( medoid) 15.2435 4.92013 17.6862 75
cluster_3.pdb ( medoid) 13.6822 11.694 25.6582 160
cluster_4.pdb ( medoid) 12.9602 11.0338 35.5926 143
cluster_5.pdb ( medoid) 12.6228 5.7832 21.1995 73
cluster_6.pdb ( medoid) 12.3196 13.2309 32.5068 163
cluster_7.pdb ( medoid) 11.4823 4.5287 21.6375 52
cluster_8.pdb ( medoid) 11.2683 12.4242 29.4748 140
cluster_9.pdb ( medoid) 8.08054 9.15781 22.837 74
cluster_10.pdb ( medoid) 2.76003 13.0433 29.8921 36
Laboratory of Theory of Biopolymers 2015