Skip to main content

Table 13 The Docking Results of DoBi, ZDOCK and 3D-Dock on CAPRI

From: Protein-protein binding site identification by enumerating the configurations

Target

DoBi1000

ZDOCK

DoBi10

3D-Docke

 

iRMSDa

NCb

F l c

F r d

iRMSD

NC

F l

F r

iRMSD

NC

F l

F r

iRMSD

NC

T1

4.28

27.6

56.0

45.2

8.10

17.2

50.0

32.0

5.45

44.0

74.1

64.3

3.0

46

T2

6.23

76.9

38.8

35.3

4.15

46.2

51.9

35.7

8.27

53.8

48.0

36.4

T3

18.48

9.4

17.1

43.9

3.89

62.5

64.0

60.6

18.51

12.0

22.9

51.4

T4

3.98

63.5

66.6

57.1

4.50

23.1

78.2

58.3

6.24

35.9

38.3

51.6

15.1

21

T5

11.06

7.7

46.8

31.6

10.08

5.4

76.6

18.9

11.06

7.7

46.8

31.6

T6

16.49

15.4

36.4

33.4

8.72

29.2

54.2

71.6

19.21

9.6

18.2

28.1

0.8

86

T7

11.10

13.5

62.8

24.0

6.43

2.7

44.4

4.8

11.10

13.5

62.8

24.0

28.6

14

T8

6.69

37.9

42.7

60.9

2.73

63.6

82.8

60.0

6.69

37.9

42.7

60.9

1.7

33

T9

2.85

33.3

61.3

67.6

8.46

28.9

54.1

58.7

10.54

1.4

36.7

37.7

9.7

23

T10

4.52

28.9

50.4

51.8

14.75

5.9

15.4

17.3

7.69

13.0

58.1

59.3

34.8

0

T11

2.55

66.7

68.5

75.0

2.63

61.1

96.0

82.1

12.17

0

0

45.0

1.9

20

T12

2.55

66.7

68.5

75.0

2.31

81.5

75.9

88.9

12.17

0

0

45.0

3.2

22

T13

3.33

94.1

74.1

69.6

2.49

57.1

52.9

59.3

3.33

94.1

74.1

69.6

6.4

6

T14

19.98

9.6

34.5

28.0

5.22

42.0

72.7

68.9

20.97

10.3

36.1

28.3

0.9

47

T15

2.40

53.6

86.9

83.0

0.86

91.1

90.6

81.8

4.00

42.0

64.2

63.6

T18

8.08

25.0

57.7

44.4

1.88

66.2

80.0

80.0

11.38

8.2

10.3

19.7

9.4

14

T19

2.74

58.8

60.0

69.0

9.81

4.8

40.0

14.6

2.74

58.8

60.0

69.0

3.9

31

T20

15.13

1.1

14.7

28.6

13.62

7.2

35.0

37.1

15.13

1.1

14.7

28.6

T21

2.02

50.0

77.8

68.8

2.43

70.7

83.3

70.6

2.02

50.0

77.8

68.8

T22

16.08

7.5

20.0

71.4

9.28

12.6

66.7

0

16.08

7.5

20.0

71.4

T23

1.90

61.2

86.9

88.4

2.14

72.1

87.3

87.9

3.14

46.0

83.1

83.1

T24

5.01

50.0

31.6

20.0

28.15

0

0

0

5.01

50.0

31.6

20.0

T26

7.11

29.6

26.1

45.2

30.07

0

0

0

7.11

29.6

26.1

45.2

T27

6.95

60.0

42.4

51.9

15.89

3.5

24.4

0

7.38

66.7

38.5

50.0

T29

2.46

68.6

83.3

79.3

3.90

58.6

77.4

72.1

3.80

32.7

69.4

77.8

  1. aC α iRMSD between the configuration by the respective method and the experimental structure.
  2. bNC (%) is fraction of native contacts for each method.
  3. cF l (%) is the F-score of each method for the ligand protein on the data set.
  4. dF r (%) is the F-score of each method for the receptor protein on the data set.
  5. eThe values for 3D-Dock are from literatures [36, 37]; The blank results mean that 3D-Dock never produced on these targets.