Project name: 1JBE unbound default 2 run A QDQVDDLLDSLGF ss: CHHHHHHHHHHCC

Status: done

submitted: 2015-02-25 18:46:55, status changed: 2015-03-13 11:05:55

Project settings
Protein sequence(s) ADKELKFLVVDDFSTMRRIVRNLLKELGFNNVEEAEDGVDALNKLQAGGYGFVISDWNMPNMDGLELLKTIRAAMSALPVLMVTAEAKKENIIAAAQAGASGYVVKPFTAATLEEKLNKIFEKLGM input pdb
Peptide sequence QDQVDDLLDSLGF
Simulation mc cycles50
Peptide secondary structure CHHHHHHHHHHCC
Flexible regions
Unlikely to bind regions
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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
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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.
Trajectories
replica_1 Download
replica_2 Download
replica_3 Download
replica_4 Download
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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) 65.0401 1.46064 3.10429 95
cluster_2.pdb ( medoid) 35.9003 4.17824 20.3045 150
cluster_3.pdb ( medoid) 31.7569 4.97529 19.7165 158
cluster_4.pdb ( medoid) 19.349 4.9098 25.479 95
cluster_5.pdb ( medoid) 18.8473 4.72216 20.5122 89
cluster_6.pdb ( medoid) 15.2563 2.42522 14.3059 37
cluster_7.pdb ( medoid) 11.481 7.05512 27.0826 81
cluster_8.pdb ( medoid) 9.85719 14.8115 36.512 146
cluster_9.pdb ( medoid) 8.00481 15.2408 33.4754 122
cluster_10.pdb ( medoid) 1.74336 15.4874 33.0225 27
Laboratory of Theory of Biopolymers 2015