Table 1. Geometries of the enzyme-substrate (ES) complex and transition state (TS) for m-CAT and b-CAT configurations for the SMgL PM6 SQM region.

	b-CAT ES	m-CAT ES	b-CAT TS	m-CAT TS
S-C (Å)	1.76	1.76	2.21	2.19
C-O (Å)	2.72	3.02	1.91	1.90
Δ (Å)	-0.96	-1.26	0.32	0.29
∠S-C-O (°)	158.7	162.7	173.2	173.3