A. Mittermaier et al., Analysis of deuterium relaxation-derived methyl axis order parameters and correlation with local structure, J BIOM NMR, 13(2), 1999, pp. 181-185
Methyl axis (S-axis(2)) and backbone NH (S-NH(2)) Order parameters derived
from eight proteins have been analyzed. Similar distribution profiles for A
la S-axis(2) and S-NH(2) Order parameters were observed. A good correlation
between the two S-axis(2), values of Val and Leu methyl groups is noted, a
lthough differences between order parameters can arise. The relation of S-a
xis(2), or S-NH(2) to solvent accessibility and packing density has also be
en investigated. Correlations are weal;, likely reflecting the importance o
f collective, non-local motions in proteins. The lack of correlation betwee
n these simple structural parameters and dynamics emphasizes the importance
of motional studies to fully characterize proteins.