Project name: NDM + Ib-AMP4

Status: done

submitted: 2018-01-02 09:51:51, status changed: 2018-01-02 17:38:02

Project settings
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCCCCCCHHHHHHCC
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
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

Download all files
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) 26.5661 4.36647 24.348 116
cluster_2.pdb ( medoid) 19.5794 5.15848 21.8038 101
cluster_3.pdb ( medoid) 19.5573 7.51638 28.3525 147
cluster_4.pdb ( medoid) 17.0183 8.63775 35.2886 147
cluster_5.pdb ( medoid) 15.0204 8.52176 44.5865 128
cluster_6.pdb ( medoid) 13.5004 4.96283 21.8598 67
cluster_7.pdb ( medoid) 12.0964 8.10155 24.8703 98
cluster_8.pdb ( medoid) 10.8132 9.15551 28.2946 99
cluster_9.pdb ( medoid) 9.22127 7.69959 28.7947 71
cluster_10.pdb ( medoid) 3.02334 8.59976 16.247 26

Laboratory of Theory of Biopolymers 2015