The molecular conformation of (1 --> 3)-alpha-D-glucan tribenzoate (TB
G) was studied by X-ray diffraction measurements coupled with a confor
mational analysis. Although the fiber pattern obtained was of very low
crystallinity, the presence of a meridional reflection at the 5th lay
er line indicated that the TBG molecule took a five-fold helical confo
rmation with a 19.63 angstrom fiber repeat. A conformational analysis
on the five-fold helix, which was done by calculating van der Waals' r
epulsion energy between non-bonded atoms comprising the TBG chain, sug
gested that the most preferable energy-based conformation was -5/1, a
left-handed five-fold helix.