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Table 5 Top 30 protein atom type triangles ranked by their binding site enrichment factor F b .

From: An interaction-motif-based scoring function for protein-ligand docking

Rank

Triangle

F b

Coverage%* (binding site)

Coverage%* (whole protein)

1

NLC-NLC-NLC

70.6

13.2

93.7

2

CRP-CRP-CRP

61.9

23.3

96.6

3

CRP-NLC-NLC

47.2

16.6

98.0

4

CRP-CRP-NLC

44.3

20.1

97.7

5

CRP-CRP-OLC

38.1

22.6

98.3

6

NLC-NLC-NRE

32.8

8.2

95.7

7

CRP-CRP-NRE

31.7

16.8

93.6

8

CRP-CRP-O3B

29.8

26.4

98.2

9

NLC-NLC-O3B

29.6

16.3

98.6

10

CRP-CRP-NLB

26.2

19.8

98.1

11

CRN-CRP-CRP

26.2

32.4

98.5

12

CRP-OLC-OLC

25.8

21.0

98.8

13

NLB-NLC-NLC

24.6

20.3

98.9

14

CRP-NRE-OLC

23.5

15.4

97.6

15

CRP-NLC-O3B

23.5

19.1

98.3

16

CRP-NLC-NRE

23.0

12.1

96.9

17

NRE-OLC-OLC

19.9

12.5

97.9

18

CRP-NRE-NRE

19.7

9.0

89.4

19

CRP-NLB-NLC

19.2

17.2

98.3

20

NLC-O3B-O3B

18.6

14.2

98.5

21

NRE-NRE-OLC

18.1

8.3

96.7

22

CRN-NLC-NLC

17.5

17.4

98.6

23

NRE-NRE-NRE

17.3

4.2

77.3

24

OLC-OLC-OLC

17.0

13.0

98.4

25

CRP-NLC-OLC

17.0

15.9

98.3

26

CRN-CRN-CRN

16.9

41.4

99.0

27

CRP-CRP-S3N

16.8

5.3

93.6

28

NLC-NRE-NRE

16.7

6.1

94.2

29

CRN-CRN-CRP

16.5

37.6

98.9

30

C3P-NLC-NLC

16.2

33.5

98.9

  1. *Coverage: The percentage of protein-ligand complexes (out of the 6,276 complexes) in which a specific triangle was present in the ligand-binding site or the whole protein.