Project name: H18E5OK6A01 4nqv

Status: done

submitted: 2018-01-02 07:26:51, status changed: 2018-01-04 01:01:49

Project settings
Protein sequence(s) GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQKMEPRAPWIEQEGPEYWDQETRNMKAHSQTDRANLGTLRGYYNQSEDGSHTIQIMYGCDVGPDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAVHAAEQRRVYLEGRCVDGLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWMIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM input pdb
Peptide sequence FTVYVFCFL
Simulation mc cycles200
Peptide secondary structure psipred CEEEEEEEC
Unlikely to bind regions
0:B - 99:B 179:A - 274: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) 77.166 1.17928 4.36982 91
cluster_2.pdb ( medoid) 70.8173 3.75614 47.9281 266
cluster_3.pdb ( medoid) 42.9158 1.18837 4.26877 51
cluster_4.pdb ( medoid) 42.3731 3.23319 26.1198 137
cluster_5.pdb ( medoid) 33.2324 4.21275 25.4265 140
cluster_6.pdb ( medoid) 29.6694 3.33678 7.4603 99
cluster_7.pdb ( medoid) 17.3807 5.81105 39.7451 101
cluster_8.pdb ( medoid) 9.11858 3.07065 5.51609 28
cluster_9.pdb ( medoid) 2.03175 16.7343 33.7788 34
cluster_10.pdb ( medoid) 1.16993 23.0783 54.7339 27

 
Laboratory of Theory of Biopolymers 2015