Hi there,
I am building relatively simple models and I have added in my own DISU patch as per the recommended method via FAQ. The disulfide is formed but the dihedrals don't look correct (~150 degrees). Is there something I am missing? (Do I need to add in a larger refinement factor?
I am using mod9v7
Cheers
Joel
Joel Tyndall, PhD
Senior Lecturer in Medicinal Chemistry
National School of Pharmacy
University of Otago
PO Box 56 Dunedin 9054
New Zealand
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Joel Tyndall wrote: > I am building relatively simple models and I have added in my own DISU > patch as per the recommended method via FAQ. The disulfide is formed but > the dihedrals don’t look correct (~150 degrees). Is there something I am > missing? (Do I need to add in a larger refinement factor?
This is probably because your template distances conflict with those implied by the disulfide. Are the two residues in question nearby, in a model built without a DISU patch? If not, the patch will have a hard time forcing them together. You can remedy this situation by making the model more flexible in this region by either manually removing some of the template restraints, or modifying the alignment so that the target is not aligned with the template.
Ben Webb, Modeller Caretaker
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Joel Tyndall -
Modeller Caretaker