Project name: 3RDH unbound default A GHGQGLLDALDLAS ss: CCCCCHHHHCCCCC

Status: done

submitted: 2015-02-20 17:44:48, status changed: 2015-03-13 11:01:33

Project settings
Protein sequence(s) GSHMDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTEGAEKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTS 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_6 View
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) 64.1259 1.71537 11.3412 110
cluster_2.pdb ( medoid) 40.2126 4.20266 25.7661 169
cluster_3.pdb ( medoid) 37.6074 4.36084 12.73 164
cluster_4.pdb ( medoid) 28.6966 6.65585 22.9088 191
cluster_5.pdb ( medoid) 19.8233 4.18699 16.1207 83
cluster_6.pdb ( medoid) 14.587 5.41577 29.4297 79
cluster_7.pdb ( medoid) 10.4195 6.14234 12.4989 64
cluster_8.pdb ( medoid) 9.63825 3.94263 20.7644 38
cluster_9.pdb ( medoid) 6.62531 10.8674 21.4425 72
cluster_10.pdb ( medoid) 4.20593 7.13279 15.7479 30
Laboratory of Theory of Biopolymers 2015