Table 1

Comparison of rotamer libraries for side-chain prediction

Amino acid

Dihedral angle

P10

P02

D10

D02


CYS

χ1

55.76

56.40

50.16

50.09


SER

χ1

67.34

67.13

61.94

61.84


THR

χ1

88.46

87.81

86.13

85.85


VAL

χ1

90.79

90.58

86.94

86.99


ASN

χ1

χ1+2

79.21

56.18

78.33

53.34

69.53

49.34

69.31

47.15


ASP

χ1

χ1+2

78.27

60.80

79.33

60.36

72.47

57.16

73.12

56.18


HIS

χ1

χ1+2

79.12

45.01

77.93

43.29

63.33

33.33

62.06

32.86


ILE

χ1

χ1+2

91.56

77.71

91.18

77.20

86.91

68.18

87.05

68.02


LEU

χ1

χ1+2

84.21

74.22

83.70

73.19

74.89

68.59

74.20

67.94


PHE

χ1

χ1+2

88.26

53.17

86.90

52.28

72.95

42.00

73.03

42.23


PRO

χ1

χ1+2

83.11

79.01

82.20

78.19

80.96

76.70

80.92

76.74


TRP

χ1

χ1+2

69.42

55.60

68.06

50.40

53.49

35.61

53.01

34.98


TYR

χ1

χ1+2

87.29

51.30

86.38

51.59

72.64

42.67

72.68

43.18


GLN

χ1

χ1+2

χ1+2+3

72.37

50.25

25.71

70.67

48.91

23.08

63.62

34.05

17.20

62.47

38.72

16.03


GLU

χ1

χ1+2

χ1+2+3

67.46

47.86

26.17

66.39

46.65

25.03

62.36

41.97

21.21

61.71

41.14

20.48


MET

χ1

χ1+2

χ1+2+3

71.54

56.50

39.95

72.40

56.66

39.51

60.03

36.31

20.12

60.85

34.55

19.91


ARG

χ1

χ1+2

χ1+2+3

χ1+2+3+4

71.52

56.83

29.92

17.60

71.35

56.60

29.62

16.82

63.60

47.18

21.33

9.82

61.41

47.47

21.27

9.14


LYS

χ1

χ1+2

χ1+2+3

χ1+2+3+4

72.02

58.54

44.83

28.42

72.11

58.79

44.80

27.85

66.43

50.82

36.86

23.33

66.28

50.73

36.89

23.48


Overall

χ1

χ1+2

χ1+2+3

χ1+2+3+4

80.45

61.50

32.81

23.25

80.05

60.74

31.82

22.55

73.80

53.72

24.62

16.94

73.43

53.60

24.03

16.61


The first column contains amino acid names. The second column denotes the combination of dihedral angles for which the accuracy is reported. Starting from the third column, the accuracy for our proposed library with Dunbrack’s 2010 library as input, our proposed library with Dunbrack’s 2002 library as input, Dunbrack’s backbone-dependent library proposed in 2010, and Dunbrack’s backbone-dependent library proposed in 2002 is reported, respectively.

Bhuyan and Gao BMC Bioinformatics 2011 12(Suppl 14):S10   doi:10.1186/1471-2105-12-S14-S10

Open Data