Project name: 3d1e bound default 3 runA GQLGLF ss: CECCCC

Status: done

submitted: 2015-02-23 11:19:20, status changed: 2015-03-13 11:30:25

Project settings
Protein sequence(s) MKFTVEREHLLKPLQQVSGPLGGRPTLPILGNLLLQVADGTLSLTGTDLEMEMVARVALVQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRFSLSTLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGMLFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMRMLDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKHLEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEILDVTYSGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQSAAYVVMPMRL input pdb
Peptide sequence GQLGLF
Simulation mc cycles50
Peptide secondary structure CECCCC
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) 79.267 1.41295 22.9243 112
cluster_2.pdb ( medoid) 37.4351 4.78161 28.0647 179
cluster_3.pdb ( medoid) 30.8016 4.18809 25.1917 129
cluster_4.pdb ( medoid) 22.8883 4.28166 22.568 98
cluster_5.pdb ( medoid) 11.8342 9.46409 39.157 112
cluster_6.pdb ( medoid) 11.4282 5.16266 12.7815 59
cluster_7.pdb ( medoid) 9.70934 12.7712 40.3351 124
cluster_8.pdb ( medoid) 6.76256 11.5341 30.8834 78
cluster_9.pdb ( medoid) 5.06416 15.5998 38.0764 79
cluster_10.pdb ( medoid) 3.82003 7.85335 21.6713 30
Laboratory of Theory of Biopolymers 2015