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

Status: done

submitted: 2015-02-20 17:44:48, status changed: 2015-03-13 11:07:01

Project settings
Protein sequence(s) DSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFG input pdb
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.
Trajectories
replica_1 Download
replica_2 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) 21.5214 5.34351 19.8271 115
cluster_2.pdb ( medoid) 18.9761 9.11671 18.0491 173
cluster_3.pdb ( medoid) 17.774 9.73331 39.8296 173
cluster_4.pdb ( medoid) 15.5225 8.56819 24.058 133
cluster_5.pdb ( medoid) 14.7245 5.02563 24.2912 74
cluster_6.pdb ( medoid) 12.8844 7.52849 20.9772 97
cluster_7.pdb ( medoid) 6.57841 11.705 33.9286 77
cluster_8.pdb ( medoid) 5.99172 12.5173 32.9486 75
cluster_9.pdb ( medoid) 5.2111 11.1301 33.2828 58
cluster_10.pdb ( medoid) 2.50335 9.98662 23.9656 25
Laboratory of Theory of Biopolymers 2015