Project name: NDM + Ib-AMP2

Status: done

submitted: 2018-01-02 09:43:45, status changed: 2018-01-02 18:11:03

Project settings
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCCCCCCCHHHHCCC
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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) 35.5455 6.63938 27.3176 236
cluster_2.pdb ( medoid) 23.6983 7.17351 22.3719 170
cluster_3.pdb ( medoid) 21.2611 3.43349 19.5225 73
cluster_4.pdb ( medoid) 17.8434 6.94937 27.9234 124
cluster_5.pdb ( medoid) 17.0736 5.97412 19.1663 102
cluster_6.pdb ( medoid) 15.5782 4.9428 16.9971 77
cluster_7.pdb ( medoid) 10.8699 4.78387 17.7214 52
cluster_8.pdb ( medoid) 7.08303 7.76504 24.4394 55
cluster_9.pdb ( medoid) 4.27848 15.6598 25.6974 67
cluster_10.pdb ( medoid) 4.22998 10.4019 29.1077 44

Laboratory of Theory of Biopolymers 2015