Project name: 2o02 bound default A GHGQGLLDALDLAS ss: CCCCCHHHHCCCCC

Status: done

submitted: 2015-02-19 18:28:29, status changed: 2015-03-13 10:57:45

Project settings
Protein sequence(s) MDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTS input pdb
Peptide sequence GHGQGLLDALDLAS
Simulation mc cycles50
Peptide secondary structure CCCCCHHHHCCCCC
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_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) 39.9035 4.26027 28.8875 170
cluster_2.pdb ( medoid) 33.3544 5.09678 28.5402 170
cluster_3.pdb ( medoid) 25.4972 5.02016 31.0432 128
cluster_4.pdb ( medoid) 14.9935 6.00261 27.2169 90
cluster_5.pdb ( medoid) 14.8753 6.85699 28.9115 102
cluster_6.pdb ( medoid) 12.3336 5.75664 26.5043 71
cluster_7.pdb ( medoid) 8.86611 12.0684 46.3295 107
cluster_8.pdb ( medoid) 6.27269 4.78264 23.6103 30
cluster_9.pdb ( medoid) 5.89931 13.5609 30.5299 80
cluster_10.pdb ( medoid) 5.10181 10.1925 33.5888 52
Laboratory of Theory of Biopolymers 2015