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Table 5 NeEMO predictions on the mesophilic and thermophilic mutations.

From: NeEMO: a method using residue interaction networks to improve prediction of protein stability upon mutation

   

T → M

  

M → T

 

Mesophile

Thermophile

Increase

Decrease

Energy

Increase

Decrease

Energy

1AK2A

1ZIPA

28

85

56.66

50

63

38.92

3PGKA

1PHPA

66

104

55.22

128

42

-42.47

1LVLA

1EBDA

102

138

50.85

169

71

-63.93

1LDMA

1LDNA

46

140

94.32

105

81

-1.99

1VOKA

1PCZA

18

77

78.02

42

53

11.63

1ST3A

1THMA

35

90

75.91

48

77

34.62

2CTCA

1OBRA

73

108

51.41

100

81

9.46

1GADO

1GD1O

50

82

23.93

78

54

-14.69

1NPCA

1THLA

20

61

33.95

49

32

-2.37

2PFKD

3PFKA

60

69

20.48

50

79

41.91

 

Total

498

954

 

819

633

 
  1. Amount of reciprocal variants in mesophilc and thermophilic predicted to increase or decrease the stability of the 10 proteins, and their cumulative energy. Cases where predictions support our hypothesis of symmetric ΔΔG behavior of variants are highlighted in bold.