Project name: a3569835e4f4491

Status: done

submitted: 2017-12-06 08:50:15, status changed: 2017-12-07 03:27:09

Project settings
Protein sequence(s) RCDPIRISMCQNLGYNVTKMPNLVGHELQTDAELQLTTFTPLIQYGCSSQLQFFLCSVYVPMCTEKINIPIGPCGGMCLSVKRRCEPVLKEFGFAWPESLNCSKFPPQNDHNHMCMEGPRCDPIRISMCQNLGYNVTKMPNLVGHELQTDAELQLTTFTPLIQYGCSSQLQFFLCSVYVPMCTEKINIPIGPCGGMCLSVKRRCEPVLKEFGFAWPESLNCSKFPPQNDHNHMCMEGRCDPIRISMCQNLGYNVTKMPNLVGHELQTDAELQLTTFTPLIQYGCSSQLQFFLCSVYVPMCTEKINIPIGPCGGMCLSVKRRCEPVLKEFGFAWPESLNCSKFPPQNDHNHMCMEGPGDELEVLFRRCDPIRISMCQNLGYNVTKMPNLVGHELQTDAELQLTTFTPLIQYGCSSQLQFFLCSVYVPMCTEKINIPIGPCGGMCLSVKRRCEPVLKEFGFAWPESLNCSKFPPQNDHNHMCMEGPGDEEVPLPHK input pdb
Peptide sequence MRKHVLAASFSMLSLLVIMGDTDS
Simulation mc cycles50
Peptide secondary structure psipred CCHHHHHHHHHHHHHHHHHCCCCC
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) 33.5655 4.49866 14.5592 151
cluster_2.pdb ( medoid) 16.228 6.59353 49.5989 107
cluster_3.pdb ( medoid) 11.8914 6.97981 14.6923 83
cluster_4.pdb ( medoid) 11.4177 5.60535 12.4668 64
cluster_5.pdb ( medoid) 11.0075 10.1749 45.5907 112
cluster_6.pdb ( medoid) 10.278 6.42147 12.7634 66
cluster_7.pdb ( medoid) 8.73919 11.3283 27.7892 99
cluster_8.pdb ( medoid) 6.27703 17.5242 54.8711 110
cluster_9.pdb ( medoid) 6.00767 15.9796 29.85 96
cluster_10.pdb ( medoid) 1.87775 14.9115 27.7151 28

 
Laboratory of Theory of Biopolymers 2015