Project name: 2d5w bound default 2 runB ASKTK ss: CCEEC

Status: done

submitted: 2015-02-23 11:18:38, status changed: 2015-03-13 10:51:05

Project settings
Protein sequence(s) MGPQDNSLVIGASQEPRVLAGDFLRVISNQAIKSEIEQYLFAPFIGFNADSQNFPVLATEVPTLENGRLRVTDIGGGKKRLEMDITIRPDAKWSDGRPITTEDVAFYFEVGKAKGMPVLNPDFWERVNVRIKDARNFTLIFEPAYYYDTYGPINTYAPKHIMGPEWERVKAAARGLDPDKDAEKLNELYRNFFLKFATPQALNRGAMVYSGPFKLKRWVPGNSIEMERNPNFPIKPEGGESKYVQKVVYRFIQNTNSLLVAVIGGSIDATSSVSLTFDQGRSPQLVRRAPGRFDIWFVPGAIWEHIDINKFENCQVVKDLGLNDKRTRQAILHALNREGLVKAFFDGLQPVAHTWIAPVNPLFNPNVKKYEFDLKKAEALLAEMGWRKGPDGILQRTVNGRTVRFEIEYVTTAGNVVRERTQQFFAEDLKKIGIAVKINNAPSAVVFADEFIQRASECKWTGMFEFAWVSNLQEDGSLFQYKNLNTGAIMVPTKENNYQGQNIGGWRNDEFDRLTSQAVLEFDPERRKQLFWRAQEIWAEELPALPLYFRANPYVVRKGLVNYVASAYSGGYGYPGWNAWEIGWESRGAVKKWDQAKYALST input pdb
Peptide sequence ASKTK
Simulation mc cycles50
Peptide secondary structure CCEEC
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
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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
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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
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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) 38.317 3.41885 33.5982 131
cluster_2.pdb ( medoid) 22.7957 9.29998 44.6856 212
cluster_3.pdb ( medoid) 19.1717 8.71076 30.1713 167
cluster_4.pdb ( medoid) 18.9529 3.90441 12.8024 74
cluster_5.pdb ( medoid) 13.109 4.88213 12.3305 64
cluster_6.pdb ( medoid) 7.32803 17.0578 47.3235 125
cluster_7.pdb ( medoid) 6.75293 12.8833 38.2336 87
cluster_8.pdb ( medoid) 3.55304 12.6652 38.4436 45
cluster_9.pdb ( medoid) 3.05496 18.0035 47.7939 55
cluster_10.pdb ( medoid) 3.0303 13.2 39.4236 40
Laboratory of Theory of Biopolymers 2015