Table 3.

Main epitope/paratope interactions

Eptinezumab	Atom	Chain	CGRP	Atom
# H-bond
Ser92	OG	L3	Ser116	O	P
Tyr37	OH	L	Phe119	O	P
IIe53	N	H2	Asn113	O	P
Asn54	N	H2	Asn113	OD1	P
Gln47	NE2	L	Ala118	O	P
# Water-mediated H-bond (putative)
Ser92	OG	L3	Phe119Cter	N	P
Tyr93	O	L3	Ser116	OG	P
Cys100	O	L3	Ser116	OG	P
Asp51	O	L2	Lys117	O	P
# Main hydrophobic contacts
Cys95	SG	L3	Val114	CG2	P
Cys95	SG	L3	Phe109	CE1	P
Tyr58	CD2	H	Val114	CG1	P
Val50	CG1	H	Val114	CB	P
Val37	CG2	H	Phe119	CZ	P
Leu90	CD2	L3	Phe119	CG	P
Tyr33	CE1	L1	Lys117	CD	P
Tyr29	CE1	L1	Pro111	CG	P
Tyr33	CE2	L1	Pro111	CB	P
# Main pi-pi interactions
Asn54		H2	Asn113		P
Asn35		H	Phe119		P
Phe101		L2	Phe119		P
Tyr33		H1	Val114		P
Arg97		H3	Phe119		P
Tyr29		L1	Phe109		P
Asp94		L3	Phe109		P

Abbreviations: CGRP, calcitonin gene-related peptide; Cter, C-terminus.