[buster-discuss] modified amino acid residue in chain

wtempel wtempel at gmail.com
Tue May 3 16:04:33 CEST 2016


Hello,
refine stops after printing this

        1 dist=   1.34 idealD=   3.35 sigma=   0.20 abs(Delta/sigma)=   10.07
          Between atoms   D|51:C (SER)            and   D|52:N (TYC)
         (C-N)
 [check-047]
   ERROR: Between 'N ' and 'C ' atoms. It is possible restraints have not been
          properly setup. Probably have a residue that should be regarded as a
          AAREST???

to ./01-BUSTER/Cycle-1/gelly_sanity_test.lis. I have this feeling that I
probably *do*

have a residue that should be regarded as a AAREST

as TYC is just the amide of tyrosine and terminates my peptide. But what
does it mean, and how do I make autobuster regard TYC as “AAREST”?
I appreciate any help or link to documentation.

Thank you.
Wolfram Tempel
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