# OF STRUCTURE

SCORES

INTERACTIONS

Halogen In C-8 (interaction)

1

−7.163

Trp229

2

−7.085

Trp229

7

−7.774

Tyr229, Tyr188

13

−8.080

Trp229

16

−7.039

Pro236

20

−6.898

Pro236

23

−8.864

Trp229

28

−6.865

Trp229

32

−7.392

Tyr181

33

−7.163

Tyr181, Tyr188

36

−8.461

Trp229

37

−8.711

Trp229

38

−7.273

Tyr181

41

−7.845

Trp229

43

−6.631

Tyr181

46

−7.915

Trp229

47

−7.146

Trp229

48

−8.002

Trp229

49

−6.942

Trp229

52

−7.784

Trp229

53

−7.053

Tyr181

57

−6.362

Tyr188

58

−7.461

Trp229

Cl-Lys103

59

−6.584

Tyr188

60

−5.427

Pro236

61

−6.362

Tyr188

77

−6.965

Tyr181

78

−8.207

Trp229

91

−7.605

Trp229

93

−7.175

Trp229

102

−7.124

Tyr188

103

−5.788

Tyr181

111

−7.379

Trp229