Project name: gdapHD_free

Status: done

submitted: 2018-07-09 16:53:28, status changed: 2018-07-24 03:17:44

Project settings
Simulation mc cycles50
Peptide secondary structure psipred CCCCHHHEEEEEHHCCEEECC
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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) 32.5529 3.22552 24.5345 105
cluster_2.pdb ( medoid) 26.9622 3.85725 23.6904 104
cluster_3.pdb ( medoid) 19.6166 5.50554 34.0656 108
cluster_4.pdb ( medoid) 18.3553 6.21073 31.5461 114
cluster_5.pdb ( medoid) 16.087 6.89998 36.7182 111
cluster_6.pdb ( medoid) 11.9316 10.8116 47.7964 129
cluster_7.pdb ( medoid) 9.78828 8.68386 22.1416 85
cluster_8.pdb ( medoid) 7.07165 13.4339 43.8466 95
cluster_9.pdb ( medoid) 6.57835 10.793 29.2579 71
cluster_10.pdb ( medoid) 4.46611 17.4649 42.2472 78

Laboratory of Theory of Biopolymers 2015