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

Status: done

submitted: 2015-02-23 11:18:42, status changed: 2015-03-13 11:14:37

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
model_2 View
model_3 View
model_4 View
model_5 View
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model_7 View
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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
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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) 50.1924 2.53026 11.039 127
cluster_2.pdb ( medoid) 28.0186 3.35491 7.72245 94
cluster_3.pdb ( medoid) 26.1257 4.82283 11.1209 126
cluster_4.pdb ( medoid) 25.1229 5.17456 32.2256 130
cluster_5.pdb ( medoid) 24.2544 4.4528 9.46018 108
cluster_6.pdb ( medoid) 20.4954 4.34243 8.88994 89
cluster_7.pdb ( medoid) 14.6493 8.19154 31.5557 120
cluster_8.pdb ( medoid) 12.0339 4.48732 8.17643 54
cluster_9.pdb ( medoid) 6.73851 10.2396 31.4333 69
cluster_10.pdb ( medoid) 3.82246 21.7137 48.2781 83
Laboratory of Theory of Biopolymers 2015