# OF STRUCTURE

SCORES

INTERACTIONS

Halogen in C-8 (interaction)

2

−6.479

Tyr188

3

−6.783

Trp229

18

−7.452

Tyr188

26

−7.177

Pro236

41

−6.919

Trp229

42

−6.990

Tyr188

47

−6.829

Trp229

48

−6.826

Trp229

58

−7.128

Tyr188

68

−8.456

Trp229

72

−7.330

Tyr188

82

−6.376

Tyr188

83

−6.870

Trp229

88

−7.199

Tyr188

91

−7.619

Tyr188

92

−6.139

Tyr188

96

−7.570

Tyr188

97

−7.624

Tyr188

99

−7.000

Tyr188

101

−7.712

Tyr188

102

−7.918

Tyr188

104

−5.847

Pro236

Cl-Pro236

107

−7.074

Tyr188

108

−6.691

Tyr188

118

−6.832

Trp229

122

−7.624

Tyr188

123

−7.175

Pro236, Trp229

Cl-Pro236

128

−6.959

Trp229

133

−7.206

Trp229

134

−7.389

Pro236

Cl-Pro236

138

−5.878

Trp229

145

−6.753

Pro236

Cl-Pro236

146

−7.673

Pro236

147

−7.355

Pro236

148

−6.299

Tyr188