Complex

ΔG_b¹

Ki²

RMSD³

Hydrogen bond interactions

Donor

Acceptor

Distance⁴

AzrC-AR88

0

−7.54

2.95

99.249

Lys192:HZ3

AR88:O

1.955

0.5

−9.08

.21982

79.192

AR88:H

Tyr156:O

2.225

Tyr156:HN

AR88:O

2.218

1.5

−7.91

1.60

102.772

Phe105:HN

AR88:N, N

2.181

AzrC-OI

0

−7.32

4.32

90.562

Val111:HN

OI:O

1.854

0.5

−8.01

1.35

101.393

Arg163:HE

OI:N

2.184

1.5

−7.42

3.65

88.052

Trp103:HE1

OI:N

2.091

Val110:HN

OI:O

2.02

Val111:HN

OI:O, O

2.098