Table II.

Details of the interactions between BOA and 3α,6α-mannopentaose in all four binding sites

Protein	Ligand	Interaction Type
Binding Site I
W18 indole	M3 ring	Packing
G19 amide	M5′ O5, M5′ O6	BB H-bonds
G20 amide	M5′ O6	BB H-bond
R103 Nη2	M3 O3, M3 O4	SC H-bonds
E131 Oε1	M3 O4	SC H-bond
G132 amide	M4′ O5, M4′ O6	BB H-bonds
P133 O	M4′ O2	BB H-bond
Binding Site II
W85 indole	M3 ring	Packing
G86 amide	M5′ O5, M5′ O6	BB H-bonds
G87 amide	M5′ O6	BB H-bond
R36 Nη2	M3 O3, M3 O4	SC H-bonds
E64 Oε1	M3 O4	SC H-bond
G65 amide	M4′ O5, M4′ O6	BB H-bonds
P66 O	M4′ O2	BB H-bond
Binding Site III
W152 indole	M3 ring	Packing
G153 amide	M5′ O5, M5′ O6	BB H-bonds
G154 amide	M5′ O6	BB H-bond
R236 Nη2	M3 O3, M3 O4	SC H-bonds
E264 Oε1	M3 O4	SC H-bond
G265 amide	M4′ O5, M4′ O6	BB H-bonds
P266 O	M4′ O2	BB H-bond
Binding Site IV
W218 indole	M3 ring	Packing
G219 amide	M5′ O5, M5′ O6	BB H-bonds
G220 amide	M5′ O6	BB H-bond
R170 Nη2	M3 O3, M3 O4	SC H-bonds
E197 Oε1	M3 O4	SC H-bond
G198 amide	M4′ O5, M4′ O6	BB H-bonds
P199 O	M4′ O2	BB H-bond

BB and SC refer to backbone and side-chain H-bonds, respectively.