Project name: 1i8k bound default 2 runAB KKGNYVVTDH ss: CECCECCCCC

Status: done

submitted: 2015-02-23 11:18:26, status changed: 2015-03-13 11:17:18

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) 57.6091 3.33281 22.6357 192
cluster_2.pdb ( medoid) 45.3561 5.75446 16.3949 261
cluster_3.pdb ( medoid) 33.9437 3.03444 13.9857 103
cluster_4.pdb ( medoid) 21.9484 3.50822 7.74547 77
cluster_5.pdb ( medoid) 16.8951 6.62915 29.7814 112
cluster_6.pdb ( medoid) 13.5157 3.99536 30.1607 54
cluster_7.pdb ( medoid) 6.69414 11.8014 35.2396 79
cluster_8.pdb ( medoid) 5.59884 6.25129 17.1148 35
cluster_9.pdb ( medoid) 5.30265 9.80643 20.1551 52
cluster_10.pdb ( medoid) 3.84045 9.11351 30.262 35
Laboratory of Theory of Biopolymers 2015