Table 2.

Average effective interaction energy (〈Eeff〉) for fluorescein and antibody residues contacting the hapten

Antibody residue	No. of native contacts	〈Eeff〉(kcal/mol)
S(H35)	8	−4.9 ± 1.6 (−4.2 ± 1.9)
W(H47)	48	−4.3 ± 2.0 (−5.0 ± 1.5)
S(H52)	9	−1.7 ± 0.8 (−1.2 ± 0.9)
L(H56)	2	0.0 ± 0.1 (−0.4 ± 0.9)
H(H58) (A(H58))	51 (7)	−1.2 ± 0.9 (−0.1 ± 0.1)
R(H95)	82	−6.5 ± 1.4 (−6.8 ± 1.4)
H(H100e)	13	−3.0 ± 1.0 (−2.6 ± 0.7)
Y(H100g)	10	−3.0 ± 0.9 (−3.3 ± 0.7)
S(H100h)	4	−1.8 ± 1.5 (−5.8 ± 2.0)
N(L31)	7	−3.8 ± 2.1 (−3.6 ± 0.9)
W(L91)	137	−8.4 ± 1.1 (−7.9 ± 1.0)
F(L96)	42	−3.4 ± 0.9 (−3.2 ± 0.8)

Energies were averaged over the second third of the control run. Quantities in brackets refer to the H(H58)A mutant. For the definition of the native contacts, see Materials and Methods.