. Author manuscript; available in PMC: 2010 Feb 3.

Published in final edited form as: Biochemistry. 2009 Feb 3;48(4):786–791. doi: 10.1021/bi801855g

Table 1.

Trp C2=C3-Cβ-Cα X^2,1 dihedral angle. Values are given in degrees. a: extracted from the crystal structures(19), b: average value over the snapshots from the MD simulations of each system, c: evaluated according to Takeuchi, et al.(36)

	Crystal^a	MD^b	Raman^c

X^2,1 (Gal-1)	120.3	96.8	114.4
X^2,1 (Gal-1–Lac)	119.3	101.2	∼120.0
ΔX^2,1	-1.0	4.4	∼5.6