Project name: 1JBE unbound default 3 run A QDQVDDLLDSLGF ss: CHHHHHHHHHHCC

Status: done

submitted: 2015-02-25 18:47:38, status changed: 2015-03-13 11:17:03

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) 42.5046 2.77617 7.0574 118
cluster_2.pdb ( medoid) 23.6018 6.27071 27.1298 148
cluster_3.pdb ( medoid) 14.7961 10.1378 27.1217 150
cluster_4.pdb ( medoid) 13.9959 6.28756 21.5903 88
cluster_5.pdb ( medoid) 13.3285 10.2787 32.1341 137
cluster_6.pdb ( medoid) 12.9481 4.1705 13.7452 54
cluster_7.pdb ( medoid) 11.2193 7.84364 34.5927 88
cluster_8.pdb ( medoid) 10.3251 7.65126 27.1669 79
cluster_9.pdb ( medoid) 5.98028 12.0396 28.1285 72
cluster_10.pdb ( medoid) 4.51888 14.6054 42.157 66
Laboratory of Theory of Biopolymers 2015