Project name: 1H1R unbound default 2 run B HTLKGRRLVFDN ss: CCCCCCCCCCCC

Status: done

submitted: 2015-02-25 18:46:54, status changed: 2015-03-13 11:18:26

Project settings
Protein sequence(s) VPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHGVSLLNPPETLNL input pdb
Peptide sequence HTLKGRRLVFDN
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCCC
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
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Click the "View" button to load the contact map of appropriate model.
Representative conformations
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model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
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Trajectories
replica_1 Download
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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) 53.0751 2.88271 18.8219 153
cluster_2.pdb ( medoid) 40.317 4.96069 32.9884 200
cluster_3.pdb ( medoid) 39.7082 2.97168 8.213 118
cluster_4.pdb ( medoid) 32.394 2.74742 5.78004 89
cluster_5.pdb ( medoid) 27.8453 2.69345 15.7878 75
cluster_6.pdb ( medoid) 26.6262 3.45524 12.1054 92
cluster_7.pdb ( medoid) 23.4209 3.80002 13.5117 89
cluster_8.pdb ( medoid) 9.68872 5.77991 32.8611 56
cluster_9.pdb ( medoid) 6.7573 11.839 34.9992 80
cluster_10.pdb ( medoid) 2.69643 17.8013 37.8598 48
Laboratory of Theory of Biopolymers 2015