[phenixbb] secondary structure restraints helices/helixes proline

Morten Groftehauge mortengroftehauge.work at gmail.com
Wed May 2 09:20:15 PDT 2012

Hi guys,

How does phenix.refine handle prolines in helices? When I look in high
resolution structures it seems that the carbonyl of the residue four
positions before the proline (also in the helix) should be more
perpendicular than parallel to the helix. This makes sense since there
isn't any nitrogen for it to hydrogen bond to.
But when I refine my structure it seems as if phenix.refine is trying to
push the carbonyl into parallel position. Am I imagining things? It's not
the best data and this is a troublesome region.


Morten K Grøftehauge, PhD
Pohl Group
Durham University
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