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

Status: done

submitted: 2015-02-20 17:44:45, status changed: 2015-03-13 11:24:22

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) 52.4429 1.65895 3.55841 87
cluster_2.pdb ( medoid) 38.1227 2.43949 15.6359 93
cluster_3.pdb ( medoid) 27.4087 7.44289 33.2815 204
cluster_4.pdb ( medoid) 20.737 3.27916 19.7305 68
cluster_5.pdb ( medoid) 18.1181 4.85701 16.3516 88
cluster_6.pdb ( medoid) 16.1854 6.48733 18.6117 105
cluster_7.pdb ( medoid) 9.2274 8.7782 31.5262 81
cluster_8.pdb ( medoid) 8.59057 13.9688 32.3948 120
cluster_9.pdb ( medoid) 6.52536 12.5663 29.9727 82
cluster_10.pdb ( medoid) 5.40932 13.3104 33.3333 72
Laboratory of Theory of Biopolymers 2015