Project name: FPR1_spinorphin

Status: done

submitted: 2017-12-05 10:39:22, status changed: 2017-12-05 15:27:21

Project settings
Protein sequence(s) NSSLPTNISGGTPAVSAGYLFLDIITYLVFAVTFVLGVLGNGLVIWVAGFRMTHTVTTISYLNLAVADFCFTSTLPFFMVRKAMGGHWPFGWFLCKFVFTIVDINLFGSVFLIALIALDRCVCVLHPVWTQNHRTVSLAKKVIIGPWVMALLLTLPVIIRVTTVPGKTGTVACTFNFSPWTNDPKERINVAVAMLTVRGIIRFIIGFSAPMSIVAVSYGLIATKIHKQGLIKSSRPLRVLSFVAAAFFLCWSPYQVVALIATVRIRELLQGMYKEIGIAVDVTSALAFFNSCLNPMLYVFMGQDFRERL input pdb
Peptide sequence LVVYPWT
Simulation mc cycles50
Peptide secondary structure psipred CEEECCC
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) 53.2427 2.19749 9.8368 117
cluster_2.pdb ( medoid) 41.689 3.62206 12.7674 151
cluster_3.pdb ( medoid) 27.4823 3.23844 12.916 89
cluster_4.pdb ( medoid) 25.8914 3.47606 7.94204 90
cluster_5.pdb ( medoid) 16.434 8.09299 23.8488 133
cluster_6.pdb ( medoid) 15.9774 4.13084 11.3156 66
cluster_7.pdb ( medoid) 15.6092 6.59867 16.5853 103
cluster_8.pdb ( medoid) 14.0834 4.11831 11.4806 58
cluster_9.pdb ( medoid) 13.6228 8.73536 31.4172 119
cluster_10.pdb ( medoid) 8.06184 9.17905 27.8188 74

 
Laboratory of Theory of Biopolymers 2015