Hello,
I need some help with the NOE contributions option in Analyis.
The issue arises because I have a 2 domain protein and did the
assignment on spectra with full-length protein. Unfortunately, I have
only models of the individual domains and not of the whole protein. The
pdb file I would like to use is for residues 131-273 and loaded as #2 in
the "Structure:Structures" option and was given the chain name "B",
whereas I did my assignment on "A" (resi 2-273).
The "NOE Contributions" option under the "Peak List & Display Settings"
does not list structure #2, so I can't chose it as a template for
assignment.
Since I think this stems from the fact that the models have different
chains (although the sequence is the same, if truncated), I copied the
assignment from chain A to chain B via the CopyAssignments option and
the "Between Molecule Chains" tab. All residues of chain B (131-273)
have now the same associated resonances as their equivalents in chain A.
Probably this is only about ticking a forgotten box, but I appreciate
any hints.
Thanks very much in advance.
Best regards,
Marcel
--
Marcel Jurk
Leibniz Institut fuer Molekulare Pharmakologie (FMP)
Solution NMR (AG Schmieder)
Robert-Roessle-Str. 10
13125 Berlin
Germany
eMail: [log in to unmask]
Phone: +49-30-94793223
Fax: +49-030-94793169
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