Table 6.

Binding affinities of lead compounds (score as kcalorie/mole) and residue interactions to HγD NC-tail spanning domain

NC-tail binding sites (12 MAC binding sites indicated in bold)
Drug	Score	Y 56	L 58	R 59	R 60	G 61	W 69	S 85	E 107	D 108	C 109	S 110	Q 113	R 117	N 119	E 128	E 135	L 136	S 137	Y 139	R 163	V 164	G 165	R 168	R 169	I 171	D 172	F 173	S 174
B	−6.3	X	X	X	X	X				X	X					X				X				X		X		X	X
C(S)	−6.8	X	X						X	X		X								X				X	X	X		X
C(R)	−8.4	X	X						X	X										X				X	X	X	X	X	X
G	−6.4		X	X	X		X																	X			X	X	X
H	−7.6																							X
M	−4.0												X	X	X		X	X	X		X	X	X
X	−5.8							X																	X	X	X	X
Bis-ANS	−7.1	X	X						X	X	X	X								X				X	X	X	X	X

Note: Drug X has additional binding sites at residues P83, H84, G86, S87, H88, and R89. Residues that are shared with MAC binding sites are in bold.