Project name: Caio

Status: done

submitted: 2017-12-07 11:03:21, status changed: 2017-12-07 15:00:05

Project settings
Peptide sequence PCAIWF
Simulation mc cycles50
Peptide secondary structure psipred CCCCCC
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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) 39.1225 0.690141 5.01172 27
cluster_2.pdb ( medoid) 31.2322 2.88164 13.7876 90
cluster_3.pdb ( medoid) 30.1264 2.25716 20.8635 68
cluster_4.pdb ( medoid) 22.5158 5.19635 14.3578 117
cluster_5.pdb ( medoid) 15.6962 6.81696 36.4934 107
cluster_6.pdb ( medoid) 15.4651 7.3068 24.5921 113
cluster_7.pdb ( medoid) 14.7481 7.7298 30.9168 114
cluster_8.pdb ( medoid) 14.0599 7.82369 27.3943 110
cluster_9.pdb ( medoid) 13.1379 13.0919 60.1388 172
cluster_10.pdb ( medoid) 3.55021 23.0972 59.9314 82

Laboratory of Theory of Biopolymers 2015