TABLE 2.

Complete list of interactions between TNFα and Adalimumab Fab (≤ 3.65 Å)

TNFα		Adalimumab Fab			Distance
Residue	Atom	Residue	Atom	CDR loop
					Å
Pro-20	O	Arg-93L	Nϵ	L3	3.25
	O		Cδ		3.58
Gln-21	Nϵ2	Asp-1L	Oδ1		2.77
	Nϵ2		Cγ1		3.41
	Cδ		Oδ1		3.33
	Cδ		Oδ2		3.35
	Cδ		Oδ1		3.33
	Cγ		Oδ1		3.59
Glu-23	Oϵ1	Arg-93L	Nθ1	L3	3.20
	Oϵ1	Gln-27L	Oϵ1	L1	3.00
	Oϵ1	Asp-1L	Oδ2	L1	3.26
	Cδ	Gln-27L	Oϵ1	L1	3.29
	Cδ	Arg-93L	Nθ1	L3	3.18
	Cγ	Arg-93L	Nθ1	L3	3.18
	Cγ	Gln-27L	Oϵ1	L1	3.26
Lys-65	O	Arg-30L	Nθ2	L1	2.36
	O	Arg-30L	Cξ	L1	3.47
	C	Arg-30L	Nθ2	L1	3.35
	Cγ	Tyr-32L	OH	L1	3.32
	Cδ	Tyr-32L	OH	L1	3.74
	Cϵ	Asn-92L	O	L3	3.44
	Nξ	Asn-92L	O	L3	2.64
Gly-66	N	Tyr-32L	OH	L1	3.27
	Cα		OH	L1	3.22
	C		OH	L1	3.42
Gln-67	Nϵ2	Asn-31L	Oδ1	L1	3.10
	Nϵ2		O	L1	2.87
	Nϵ2		Cγ	L1	3.52
	Nϵ2		C	L1	3.37
	Nϵ2		Cα	L2	3.60
	O		Nδ	L1	3.23
Thr-72	Cγ2	Tyr-101H	OH	H3	3.66
His-73	Cβ	Tyr-101H	Cϵ1	H3	3.65
Thr-77	Cγ2	Trp-53H	Nϵ1	H2	3.53
	Cγ2		Cξ2	H2	3.66
Thr-79	Oγ1	Asn-54H	Nδ2	H2	3.11
Ser-81	Oγ	Asn-54H	Nδ2	H2	3.54
Lys-90	O	Ser-55H	O	H2	3.63
	Cϵ	Asn-54H	O	H2	3.01
	Nξ	Asn-54H	O	H2	3.10
Val-91	Cα	Gly-56H	O	H2	3.49
	Cγ1		O	H2	3.64
Asn-92	N	Gly-56H	O	H2	3.02
	Cγ	Gly-56H	Cα	H2	3.64
	Nδ2	Gly-56H	Cα	H2	3.49
	Oδ1	Asn-54H	Nδ2	H2	3.47
	Oδ1	Asn-54H	Oδ1	H2	3.63
Glu-110	Cα	Thr-53L	Oγ1	L2	3.52
Ala-111	N	Thr-53L	Oγ1	L2	2.97
Pro-113	Cγ	Tyr-101H	Cδ2	H3	3.57
Tyr-115	OH	Ser-103H	Cβ	H3	3.56
Glu-135	Oϵ1	Asn-54H	Nδ2	H2	2.98
Ile-136	C	Trp-53H	Cθ2	H2	3.41
	O		Cθ2	H2	3.53
Asn-137	O	Asp-31H	Oδ1	H1	3.41
	N	Trp-53H	Cθ2	H2	3.58
Arg-138	Cδ	Asp-31H	Oδ2	H1	3.38
Asp-140	O	Arg-30L	Cδ	L1	3.30
	O		Nϵ	L1	3.13
	O		Cξ	L1	3.51
Tyr-141	Cϵ2	Arg-30L	Nθ1	L1	3.61
	Cδ2		Nθ1	L1	3.45
	Cγ		Nθ1	L1	3.59
	Cα		Nθ2	L1	3.67
Ala-145	O	His-57H	Nϵ2	H2	3.00
	O	His-57H	Cδ2	H2	3.60
	O	Asp-59H	Oδ2	H2	3.13
	Cβ	Ala-105H	Cβ	H3	3.55
Glu-146	Oϵ1	Ser-103H	Oγ	H3	2.59
	Oϵ1	Ser-103H	Cβ	H3	3.37
	Oϵ1	Ser-103H	Cα	H3	3.50
	Oϵ1	Thr-104H	N	H3	3.51
	Cγ	Thr-104H	Oγ1	H2	3.64