Project name: NDM + Ib-AMP1

Status: done

submitted: 2018-01-02 09:40:03, status changed: 2018-01-02 17:50:14

Project settings
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCCCCCCCEEEEEEC
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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.
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) 29.6847 7.4449 27.8206 221
cluster_2.pdb ( medoid) 27.5628 4.20857 22.5866 116
cluster_3.pdb ( medoid) 20.374 4.46647 10.1978 91
cluster_4.pdb ( medoid) 17.228 8.30045 24.5412 143
cluster_5.pdb ( medoid) 14.7083 5.57509 12.6908 82
cluster_6.pdb ( medoid) 10.6813 4.96196 13.5195 53
cluster_7.pdb ( medoid) 9.80258 11.9356 43.0621 117
cluster_8.pdb ( medoid) 7.13886 6.44361 16.6117 46
cluster_9.pdb ( medoid) 6.70114 14.1767 33.6128 95
cluster_10.pdb ( medoid) 2.15818 16.6807 33.5782 36

Laboratory of Theory of Biopolymers 2015