Project name: SET7Pdx1

Status: done

submitted: 2017-12-06 22:33:41, status changed: 2017-12-07 03:40:26

Project settings
Protein sequence(s) HGVCWIYYPDGGSLVGEVNEDGEMTGEKIAYVYPDERTALYGKFIDGEMIEGKLATLMSTEEGRPHFELMPGNSVYHFDKSTSSCISTNALLPDPYESERVYVAESLISSAGEGLFSKVAVGPNTVMSFYNGVRITHQEVDSRDWALNGNTLSLDEETVIDVPEPYNHVSKYCASLGHKANHSFTPNCIYDMFVHPRFGPIKCIRTLRAVEADEELTVAYGYPEWYQVELKAFQ input pdb
Peptide sequence GPAPEFSASPPACLYMGRQP
Simulation mc cycles50
Peptide secondary structure HHHHHHHHHHHHHHHHHHHH
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
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) 20.6233 6.98241 18.7232 144
cluster_2.pdb ( medoid) 20.1746 3.51928 19.3788 71
cluster_3.pdb ( medoid) 18.2687 7.60866 46.8511 139
cluster_4.pdb ( medoid) 15.6338 9.53063 43.933 149
cluster_5.pdb ( medoid) 12.8287 7.95091 33.1267 102
cluster_6.pdb ( medoid) 7.65441 12.5418 46.2388 96
cluster_7.pdb ( medoid) 7.15573 14.2543 51.8095 102
cluster_8.pdb ( medoid) 7.06443 9.20102 33.4516 65
cluster_9.pdb ( medoid) 6.51706 11.2014 38.8073 73
cluster_10.pdb ( medoid) 3.52596 16.733 35.3336 59

 
Laboratory of Theory of Biopolymers 2015