Project name: H31E6OK6IEk 1fng

Status: done

submitted: 2017-12-03 09:58:07, status changed: 2017-12-05 14:24:27

Project settings
Protein sequence(s) IKEEHTIIQAEFYLLPDKRGEFMFDFDGDEIFHVDIEKSETIWRLEEFAKFASFEAQGALANIAVDKANLDVMKERSNNTPDANVAPEVTVLSRSPVNLGEPNILICFIDKFSPPVVNVTWLRNGRPVTEGVSETVFLPRDDHLFRKFHYLTFLPSTDDFYDCEVDHWGLEEPLRKHWEFEERPWFLEYCKSECHFYNGTQRVRLLVRYFYNLEENLRFDSDVGEFRAVTELGRPDAENWNSQPEFLEQKRAEVDTVCRHNYEIFDNFLVPRRVEPTVTVYPTKTQPLEHHNLLVCSVSDFYPGNIEVRWFRNGKEEKTGIVSTGLVRNGDWTFQTLVMLETVPQSGEVYTCQVEHPSLTDPVTVEW input pdb
Peptide sequence KVSEFRWYRY
Simulation mc cycles200
Peptide secondary structure psipred CCCCEEEEEC
Flexible regions
Unlikely to bind regions
188:B - 93:B 182:A - 80:A
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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
model_2 Download
model_3 Download
model_4 Download
model_5 Download
model_6 Download
model_7 Download
model_8 Download
model_9 Download
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.
Trajectories
replica_1 Download
replica_2 Download
replica_3 Download
replica_4 Download
replica_5 Download
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) 46.8107 2.81987 13.4044 132
cluster_2.pdb ( medoid) 34.8461 3.6733 11.3226 128
cluster_3.pdb ( medoid) 28.6188 3.03996 9.02685 87
cluster_4.pdb ( medoid) 28.3446 5.36258 16.9946 152
cluster_5.pdb ( medoid) 24.5674 4.11113 12.6373 101
cluster_6.pdb ( medoid) 21.8924 4.88753 34.9078 107
cluster_7.pdb ( medoid) 12.4012 6.85418 14.8996 85
cluster_8.pdb ( medoid) 10.933 10.0613 32.3758 110
cluster_9.pdb ( medoid) 5.22194 13.9795 34.8962 73
cluster_10.pdb ( medoid) 3.02472 8.26522 16.3754 25

 
Laboratory of Theory of Biopolymers 2015