Project name: 3bwa bound default 2 runA FPTKDVAL ss: CCCCCCCC

Status: done

submitted: 2015-02-23 11:18:45, status changed: 2015-03-13 11:16:53

Project settings
Peptide sequence FPTKDVAL
Simulation mc cycles50
Peptide secondary structure CCCCCCCC
Flexible regions
Unlikely to bind regions
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
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model_4 Download
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model_6 Download
model_7 Download
model_8 Download
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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) 67.4375 4.43374 13.8694 299
cluster_2.pdb ( medoid) 44.6182 3.04808 11.317 136
cluster_3.pdb ( medoid) 44.4931 1.14625 2.44156 51
cluster_4.pdb ( medoid) 42.9487 4.12119 12.8476 177
cluster_5.pdb ( medoid) 32.5005 0.646144 2.77641 21
cluster_6.pdb ( medoid) 27.5116 4.14371 25.3118 114
cluster_7.pdb ( medoid) 24.9219 1.24388 11.0131 31
cluster_8.pdb ( medoid) 6.73869 14.9881 41.9267 101
cluster_9.pdb ( medoid) 6.42131 3.42609 9.51719 22
cluster_10.pdb ( medoid) 3.573 13.4341 34.1598 48
Laboratory of Theory of Biopolymers 2015