Table 1. Key Angles in the Quinonoid Structures (deg).
| structure: | Y71F TPL–3-F-l-Tyr |
F448H TPL–3-F-l-Tyr |
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|---|---|---|---|---|---|---|---|
| conformation: | “relaxed” |
“tense” | “tense” |
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| active site: | A | B | A | A | B | C | D |
| Cα–Cβ–Cγ | 105 | 109 | 108 | 106 | 105 | 104 | 103 |
| Cα–Cβ–Cγ–Cδ1 (torsion angle)a | 77 | 73 | 77 | 81 | 83 | 80 | 81 |
| pyramidalization angle at Cγb | 0.6 | 2 | 27 | 18 | 23 | 20 | 20 |
a
Cα–Cβ–Cγ–Cδ1 refers to the torsion angle defining rotation around the Cβ–Cγ bond.
b
Pyramidalization angle at Cγ, defined as an angle between the Cβ–Cγ line and the Cδ1–Cγ–Cδ2 plane, was calculated using PLATON.(19)