Table 5.

Torsion angles (°) of the glycosidic bonds of CMM structures

Bond and anglesa	In CMMase	Energy-minimized	Single crystal
b1 ϕ/ψ/ω	−48.5/−149.8/40.0	−43.2/163.4/−158.7	−63.6/−177.6/−58.7
b2 ϕ/ψ	−7.6/13.3	2.1/−38.9	−49.7/158.3
b3 ϕ/ψ/ω	−56.9/−151.1/41.8	−61.1/−150.1/19.5	−58.9/177.9/−58.4
b4 ϕ/ψ	−26.9/17.5	6.0/30.8	−56.1/164.0

^a Designation of the bonds (b1–b4) are shown in Fig. 4. Definitions of the torsion angles are as follows: H1′–C1′–O4–C4 for ϕ, C1′–O4–C4–H4 for ψ, and O1–C6′–C5′–H5′ for ω (α-1,6 bond).