Table 3.
System | d(C11-OH) (Å) |
d(H11proS-OH) (Å) |
d(H11proR-OH) (Å) |
Well-Oriented Structures (%) |
Pre-Catalytic Structures With At least One H Well- Oriented (%) |
---|---|---|---|---|---|
Trp181Glu | 4.26 | 4.17 | 4.18 | 87.99 | 22.65 |
WT | 4.58 | 4.74 | 4.56 | 90.09 | 14.40 |
1 The percentage of well-oriented structures and the percentage of pre-catalytic structures with at least one hydrogen atom well-oriented for the hydrogen abstraction are also given.