The difference between a rotamer with the possibility of 0% and an allowed
rotamer is sometimes not discernable by eye. I always try autofit rotamer in
Coot on this type of sidechain, and I often end up with something that, by
eye, fits the density as well as the original conformation and is j
Dialing Pretty,
It is certainly possible to observe real conformations of amino acids,
especially Arg, that are not quite common enough to have been identified as
rotamers. To this point, note that defined rotamers accounted for only 82%
of Arg conformations in the highly validated data set used t
If you want to test this, set the ARG atom occupancies to 0.0 - calculate
another map, and see what the density looks like - you can flip through the
aRG rotamers using coot.
Eleanor
On 13 February 2015 at 06:12, Dialing Pretty <
03f1d08ed29c-dmarc-requ...@jiscmail.ac.uk> wrote:
> Dear All,
Dear All,
I have a set of data, in which there are very nice electron density for
several Arg residues. However MolProbity analysis demonstrated that the
percentage of the Arg rotamer in my data is 0%. Although there is the
possibility that the Arg rotamer in my data is 0%, I still wonder is an
