Table 2.

Iinterface residues of cRBD with anti-SARS mAbs.

mAB Type		cRBD	scFv	Bond	Ekcal/mol	Dist Å	Atom
m396	VH	Thr169	Ser31	H	−2.00	2.73	b-
		Gly171	Thr33	H	−2.30	2.94	-b
		Asp74	Asn58	H	−3.10	2.77	–
		Gln175	Val97	H	−4.00	2.92	b-
	VL	Thr45	Ser93	H	−1.70	2.76	–
		Arg77	Ser94	H	−1.10	3.21	b-
		Arg77	Asp95	IH	−19.24	2.89	–
F26G19	VH	Ser44	Thr31	H	−1.50	2.80	-b
		Ser44	Tyr52	H	−1.60	2.93	–
		Asn106	Tyr52	A	−1.20	4.05	–
		Asn106	Asn54	H	−4.20	2.74	-b
		Asn108	Asp56	H	−6.70	2.99	–
		Asn109	Asp56	H	−6.00	2.97	–
		Val172	Gln95	H	−0.80	3.02	-b
	VL	Gly171	Val92	H	−1.00	3.11	bb
		Thr169	Tyr94	H	−5.10	2.88	bb
80R	VH	Gly165	Ser101	H	−1.70	2.81	b-
		Tyr174	Arg100	H	−0.50	3.12	–
	VL	Val114	Trp226	A	−0.50	4.51	–
		Asn119	Arg162	H	−11.70	2.83	–
		Gly154	Thr206	H	−3.20	2.74	b-
		Cys157	Ser197	H	−3.00	2.70	b-
		Gln162	Thr185	H	−2.10	2.77	–
s230	VH	Gln162	Arg54	H	−2.70	2.87	–
		Phe125	Asn55	A	−0.80	4.61	–
		Asn156	Asp60	H	−3.30	2.82	–
		Cys157	Lys63	H	−2.80	3.58	–
		Leu124	Tyr104	H	−3.10	2.62	-b
		Tyr90	Tyr104	A	−0.00	3.91	–

VH, variable heavy chain; VL, variable light chains; H, hydrogen bond; A, aromatic bond; I, ionic (electrostatic) bond; bb, backbone atoms. Residue numbers of the cRBD should be tallied with the top numbers in Fig. 2A.