Project name: NDM+Alliumin

Status: done

submitted: 2018-01-02 09:19:27, status changed: 2018-01-02 13:38:54

Project settings
Peptide sequence DDFLCAGGCL
Simulation mc cycles50
Peptide secondary structure psipred CCEEEECCCC
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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) 118.26 0.879421 10.8533 104
cluster_2.pdb ( medoid) 28.263 4.35198 21.6911 123
cluster_3.pdb ( medoid) 17.3927 12.764 35.0462 222
cluster_4.pdb ( medoid) 13.3616 7.55897 21.8427 101
cluster_5.pdb ( medoid) 11.5447 5.54368 32.6268 64
cluster_6.pdb ( medoid) 8.09342 14.4562 33.6968 117
cluster_7.pdb ( medoid) 7.607 11.0425 30.5202 84
cluster_8.pdb ( medoid) 6.92427 16.175 43.0241 112
cluster_9.pdb ( medoid) 5.21054 5.94948 16.3517 31
cluster_10.pdb ( medoid) 2.14678 19.5641 40.4759 42

Laboratory of Theory of Biopolymers 2015