Complexes | Donors (i) | ED (e) | Acceptors (j) | ED (e) | E2 (kcal mol−1) |
Arte—Ala | LP(1)O15 | 1.9724 | σ* (N53-H55) | 0.0158 | 1.40 |
LP(2)O15 | 1.9368 | σ* (N53-H55) | 0.0158 | 0.69 | |
Quin—Ala | LP(1)N59 | 1.9115 | σ* (O23-H24) | 0.0534 | 21.62 |
N59-H61 | 1.9889 | σ* (O23-H24) | 0.0534 | 0.18 | |
A(B)—Ala | LP(1)O15 | 1.9713 | σ* (N132-H134) | 0.0524 | 2.38 |
LP(2)O15 | 1.8708 | σ* (N132-H133) | 0.0654 | 0.08 | |
C—Ala | LP(1)O84 | 1.9706 | σ* (N138-H140) | 0.0166 | 2.74 |
LP(2)O184 | 1.8687 | σ* (N138-H139) | 0.0101 | 0.06 | |
D—Ala | LP(1)O26 | 1.9858 | σ* (N140-H142) | 0.0250 | 3.84 |
LP(2)O26 | 1.8744 | σ* (N140-H141) | 0.0112 | 4.61 | |
E—Ala | LP(1)O31 | 1.9658 | σ* (N155-H157) | 0.0143 | 3.08 |
LP(2)O31 | 1.8784 | σ* (N155-H157) | 0.0143 | 0.46 | |
F—Ala | LP(1)O24 | 1.9700 | σ* (N151-H153) | 0.0257 | 2.83 |
LP(2)O24 | 1.8700 | σ* (N151-H153) | 0.0257 | 4.69 | |
G—Ala | LP(1)O21 | 1.9675 | σ* (N145-H147) | 0.0198 | 4.43 |
LP(2)O21 | 1.8895 | σ* (N145-H147) | 0.0198 | 1.82 | |
H—Ala | LP(1)O128 | 1.9686 | σ* (N157-H158) | 0.0202 | 2.24 |
LP(2)O128 | 1.8772 | σ* (N157-H158) | 0.0202 | 1.84 | |
J—Ala | LP(1)O23 | 1.9695 | σ* (N140-H141) | 0.0197 | 1.49 |
LP(2)O23 | 1.8763 | σ* (N140-H141) | 0.0197 | 0.85 | |
K—Ala | LP(1)O23 | 1.9583 | σ* (O141-H142) | 0.0242 | 2.32 |
LP(2)O23 | 1.7964 | σ* (O141-H142) | 0.0242 | 1.20 | |
L—Ala | LP(1)O23 | 1.9698 | σ* (N136-H137) | 0.0185 | 3.56 |
LP(2)O23 | 1.8750 | σ* (N136-H137) | 0.0185 | 1.99 | |
M—Ala | LP(1)O33 | 1.971 | σ* (N133-H135) | 0.0119 | 0.06 |
LP(2)O33 | 1.8610 | σ* (N133-H135) | 0.0119 | 0.07 | |
N—Ala | LP(1)O14 | 1.9729 | σ* (N142-H143) | 0.0164 | 1.33 |
C7-O14 | 1.8759 | σ* (N142-H143) | 0.0164 | 0.13 |