Project name: helder

Status: done

submitted: 2017-09-12 21:37:14, status changed: 2017-09-13 02:32:00

Project settings
Protein sequence(s) MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLANFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP input pdb
Peptide sequence DKIKFKHITPLQEQSKEVAI
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCCCCCCCCCCC
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) 53.6584 1.86364 13.0556 100
cluster_2.pdb ( medoid) 25.8017 4.0695 22.9115 105
cluster_3.pdb ( medoid) 21.7207 5.20242 32.6893 113
cluster_4.pdb ( medoid) 21.2439 8.75547 31.1541 186
cluster_5.pdb ( medoid) 14.7485 8.00081 18.6192 118
cluster_6.pdb ( medoid) 12.5294 11.493 33.5713 144
cluster_7.pdb ( medoid) 10.2961 5.63323 15.4656 58
cluster_8.pdb ( medoid) 9.34234 5.6731 23.9014 53
cluster_9.pdb ( medoid) 5.61166 13.8996 27.1582 78
cluster_10.pdb ( medoid) 4.73786 9.49795 29.4535 45

 
Laboratory of Theory of Biopolymers 2015