Project name: Peptidase S8

Status: done

submitted: 2017-09-14 05:24:23, status changed: 2017-09-14 22:24:35

Project settings
Protein sequence(s) AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA input pdb
Peptide sequence VAQGGAAGLA
Simulation mc cycles50
Peptide secondary structure psipred CCCCHHHCCC
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) 60.78 2.71471 9.15593 165
cluster_2.pdb ( medoid) 22.6358 5.34551 13.2787 121
cluster_3.pdb ( medoid) 19.2211 6.97151 30.5368 134
cluster_4.pdb ( medoid) 10.2472 13.0767 37.7989 134
cluster_5.pdb ( medoid) 9.78641 11.751 27.3696 115
cluster_6.pdb ( medoid) 7.12761 18.6598 39.0263 133
cluster_7.pdb ( medoid) 5.77444 9.17837 19.7618 53
cluster_8.pdb ( medoid) 4.85447 12.9777 30.7717 63
cluster_9.pdb ( medoid) 3.47461 13.5267 35.0686 47
cluster_10.pdb ( medoid) 2.67571 13.0806 35.0866 35

 
Laboratory of Theory of Biopolymers 2015