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

Status: done

submitted: 2015-02-20 17:44:44, status changed: 2015-03-13 11:25:37

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
model_1 View
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model_4 View
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model_7 View
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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
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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) 34.992 3.31505 11.0729 116
cluster_2.pdb ( medoid) 31.7405 4.91485 31.5245 156
cluster_3.pdb ( medoid) 30.1232 4.05004 13.6765 122
cluster_4.pdb ( medoid) 29.2177 4.17555 12.6211 122
cluster_5.pdb ( medoid) 26.1029 4.59719 13.8999 120
cluster_6.pdb ( medoid) 21.2634 8.23011 31.9605 175
cluster_7.pdb ( medoid) 14.1483 4.24078 18.7363 60
cluster_8.pdb ( medoid) 11.3295 4.50152 30.3485 51
cluster_9.pdb ( medoid) 10.9036 5.13593 11.7789 56
cluster_10.pdb ( medoid) 3.69249 5.95804 10.3035 22
Laboratory of Theory of Biopolymers 2015