Project name: 3bu3 bound default A YNPYPEDYGDIEIG ss: CCCCHHHCEEEEEC

Status: done

submitted: 2015-02-19 18:28:33, status changed: 2015-03-13 11:20:31

Project settings
Peptide sequence YNPYPEDYGDIEIG
Simulation mc cycles50
Peptide secondary structure CCCCHHHCEEEEEC
Flexible regions
Unlikely to bind regions
Re-submit project
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
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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.
replica_1 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) 46.5209 2.66547 24.958 124
cluster_2.pdb ( medoid) 18.9849 6.26815 23.6743 119
cluster_3.pdb ( medoid) 18.8828 7.57303 16.8985 143
cluster_4.pdb ( medoid) 18.2649 4.87273 14.8139 89
cluster_5.pdb ( medoid) 16.8366 8.13706 39.9265 137
cluster_6.pdb ( medoid) 11.7158 13.1447 39.6787 154
cluster_7.pdb ( medoid) 11.3338 7.41148 24.8749 84
cluster_8.pdb ( medoid) 9.20166 9.02011 31.3957 83
cluster_9.pdb ( medoid) 2.90109 16.2008 44.4143 47
cluster_10.pdb ( medoid) 1.85272 10.795 31.8496 20
Laboratory of Theory of Biopolymers 2015