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

Status: done

submitted: 2015-02-25 18:47:40, status changed: 2015-03-13 11:19:01

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
model_1 Download
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model_7 Download
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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
model_6 View
model_7 View
model_8 View
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
replica_3 Download
replica_4 Download
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replica_7 Download
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) 60.8937 5.45213 32.4146 332
cluster_2.pdb ( medoid) 38.436 2.49766 6.81186 96
cluster_3.pdb ( medoid) 29.6189 4.11899 9.76009 122
cluster_4.pdb ( medoid) 29.2896 4.54086 13.1035 133
cluster_5.pdb ( medoid) 14.2979 6.50446 11.8972 93
cluster_6.pdb ( medoid) 13.9462 3.15498 8.78585 44
cluster_7.pdb ( medoid) 9.60469 4.68521 23.4688 45
cluster_8.pdb ( medoid) 9.39598 5.32143 25.1174 50
cluster_9.pdb ( medoid) 8.19578 5.2466 10.8547 43
cluster_10.pdb ( medoid) 7.41761 5.6622 15.3955 42
Laboratory of Theory of Biopolymers 2015