TABLE 3.

Amino acids of the anti-apoptotic proteins that contribute significantly to the ΔG of binding with BH3 peptides

Residue (Bcl-xl)	Domain	Free energy componentab
		Bad (1G5J)c	Bad (2BZW)c	Bim (1PQ1)c	Bak (1BXL)c	Bid (1ZY3)d
Glu92	BH3	–	−1.8	–	–
Glu96	BH3	–	1.7	−1.4	–	−1.7 (Glu52)
Phe97	BH3	−3.4	−3.4	−3.5	−2.9	−2.3 (Phe53)
Arg100	BH3	−1.3	1.8	2.2	−4.6	−7.3 (Arg56)
Tyr101		−2.7	−4.1	−4.0	−2.8	−2.9 (Phe57)
Ala104		–	−2.4	–	–	–
Phe105		–	−1.1	–	−1.9	–
Leu108		–	–	–	–	−1.4 (Leu64)
Gln111		−2.3	–	–	–	–
Leu112		−1.8	−1.7	−1.9	–	−1.5 (Leu68)
His113		–	−1.0	–	–	–
Gln125		–	−2.8	−1.3	−2.1	–
Val126		−2.9	−3.0	−2.9	−1.7	−2.0 (Val82)
Glu129	BH1	−1.3	−9.2	–	–	−5.0 (Glu85)
Leu130	BH1	−3.3	−4.6	−3.5	−1.7	−1.5 (Leu86)
Asn136	BH1	−1.2	−1.6	–	–	–
Trp137	BH1	–	–	–	−2.0	–
Gly138	BH1	–	–	–	−1.6	–
Arg139	BH1	–	−2.5	−6.6	−7.7	−(Arg95)
Ala142	BH1	–	–	−1.1	−1.1	–
Phe146	BH1	−1.9	−1.3	−1.1	–	–
Glu193	BH2	–	–	–	–	−1.7 (Ala149)
Leu194	BH2	–	−1.6	–	−1.6	−2.1 (Leu150)
Tyr195	BH2	−1.3	−1.3	−2.5	−3.0	–
Ser203		–	–	–	−1.0	–
Lys205		–	–	–	–	−2.7 (Arg161)
Gly206		–		–	–	−1.6 (Leu162)

^a Energies are in kcal·mol⁻¹. Dashes indicate that the |ΔG| for the amino acid was less than 1 kcal·mol⁻¹.

^b Hot spot amino acids are denoted by boldface

^c Bcl-xl.

^d Bcl-w; the corresponding amino acids of Bcl-w are shown in parentheses.