Project name: Caio

Status: done

submitted: 2017-12-07 11:00:15, status changed: 2017-12-07 14:59:14

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) 62.923 1.76406 17.8133 111
cluster_2.pdb ( medoid) 50.1384 2.39337 19.926 120
cluster_3.pdb ( medoid) 21.1796 5.57141 20.5071 118
cluster_4.pdb ( medoid) 17.8193 5.44354 20.4154 97
cluster_5.pdb ( medoid) 12.23 11.2019 38.9205 137
cluster_6.pdb ( medoid) 10.3891 8.95172 32.3453 93
cluster_7.pdb ( medoid) 7.36519 8.2822 43.1601 61
cluster_8.pdb ( medoid) 7.30147 15.8872 41.6061 116
cluster_9.pdb ( medoid) 6.26885 14.8353 39.9651 93
cluster_10.pdb ( medoid) 4.9118 10.9939 36.7003 54

Laboratory of Theory of Biopolymers 2015