Figure 2.
Fig. 2. Residual electron density in the peptide bond
plane. (A) For the peptide Ala-9-Arg-10 when using a spherical
neutral atom model, contour level 0.05 e^ /Å3.
(B) Averaged over the 34 nondisordered peptides in crambin when
using a spherical neutral atom model. (C) When using a
multipolar charged atom model transferred from the database and
(D) with average valence populations and multipoles refined,
contour level 0.02 e^ /Å3.
Positive: red lines; negative: blue lines.
/Å3.
(B) Averaged over the 34 nondisordered peptides in crambin when
using a spherical neutral atom model. (C) When using a
multipolar charged atom model transferred from the database and
(D) with average valence populations and multipoles refined,
contour level 0.02 e^