Hi,
The NOEs might not give unique solutions to the structure. Even
if you get low rmsds for the NOEs, you probably have residues in
unfavorable region.
If you do not have other angle restraints, it is good to import
the Ramachandran potential into the refinement.
Lei
On May 4, 2007, at 11:00 AM, xplor-nih-request at nmr.cit.nih.gov wrote:
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> 1. Ramachandran plot (kunal bakshi)
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> ----------------------------------------------------------------------
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> Message: 1
> Date: Fri, 4 May 2007 08:37:32 -0700 (PDT)
> From: kunal bakshi <kunalbakshi12 at yahoo.com>
> Subject: [Xplor-nih] Ramachandran plot
> To: xplor-nih at nmr.cit.nih.gov
> Message-ID: <945043.98698.qm at web31809.mail.mud.yahoo.com>
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> Hello everyone,
> I am trying to generate a peptide
> structure based on a set of NOE distance restraints using 'Sa.inp'.
> After refining the structure I get a set of acceptable structures
> with RMSDs between 0.5-0.7 but when I try to generate a
> Ramachandran plot most of them(60-70%) lie in unacceptable regions.
> I have checked my NOEs thoroughly and am quite confident of them.
> could anyone help me see where I am going wrong
> thanks
> Kunal Bakshi
>
>
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