Project name: 88ec983d90758b1

Status: done

submitted: 2018-10-09 15:35:33, status changed: 2018-10-09 19:54:36

Project settings
Protein sequence(s) LTDEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLNLMARKMKDTDSEEELKEAFRVFDKDGNGFISAAELRHVMTNLGEKLTDEEVDEMIREADVDGDGQVNYEEFVQVMMAK input pdb
Peptide sequence RRKWQKTGHAVRAIGRLSS
Simulation mc cycles50
Peptide secondary structure psipred CCCHHHHHHHHHHHHHCCC
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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) 65.2824 1.79221 11.0197 117
cluster_2.pdb ( medoid) 53.1375 3.87674 13.5626 206
cluster_3.pdb ( medoid) 42.4336 1.03691 3.19937 44
cluster_4.pdb ( medoid) 29.2123 5.61407 15.6736 164
cluster_5.pdb ( medoid) 27.1852 4.78201 18.0019 130
cluster_6.pdb ( medoid) 26.3105 3.23064 5.77114 85
cluster_7.pdb ( medoid) 24.0227 2.45601 4.98874 59
cluster_8.pdb ( medoid) 17.6152 2.72491 9.89849 48
cluster_9.pdb ( medoid) 11.6912 6.32957 22.8361 74
cluster_10.pdb ( medoid) 11.461 6.36945 17.4765 73

 
Laboratory of Theory of Biopolymers 2015