Project name: 1i8k bound default 3 runAB KKGNYVVTDH ss: CECCECCCCC

Status: done

submitted: 2015-02-23 11:19:00, status changed: 2015-03-13 10:55:06

Project settings
Protein sequence(s) DIELTQSPASLSVATGEKVTIRCMTSTDIDDDMNWYQQKPGEPPKFLISEGNTLRPGVPSRFSSSGTGTDFVFTIENTLSEDVGDYYCLQSFNVPLTFGCGTKLEIQVKLQQSGGGLVKPGASLKLSCVTSGFTFRKFGMSWVRQTSDKCLEWVASISTGGYNTYYSDNVKGRFTISRENAKNTLYLQMSSLKSEDTALYYCTRGYSSTSYAMDYWGQGTTVTVS input pdb
Peptide sequence KKGNYVVTDH
Simulation mc cycles50
Peptide secondary structure CECCECCCCC
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
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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
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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) 65.7047 2.76997 19.496 182
cluster_2.pdb ( medoid) 30.0425 3.39519 24.4482 102
cluster_3.pdb ( medoid) 18.5329 6.20517 30.0068 115
cluster_4.pdb ( medoid) 15.9063 8.99018 30.7053 143
cluster_5.pdb ( medoid) 14.0254 6.77345 20.4301 95
cluster_6.pdb ( medoid) 13.2813 11.294 27.9902 150
cluster_7.pdb ( medoid) 10.7528 11.0668 34.7842 119
cluster_8.pdb ( medoid) 3.74007 12.2992 24.8881 46
cluster_9.pdb ( medoid) 1.59461 15.6778 45.9032 25
cluster_10.pdb ( medoid) 1.27773 18.0007 37.7947 23
Laboratory of Theory of Biopolymers 2015