Table 1 This table shows the results for the 28 complexes in the test set

1gla

0 / 0

0 / 0

0 / 0

0 / 0

1 / 1

2 / 2

2 / 4

7 / 8

1y64

0 / 0

0 / 0

0 / 0

0 / 0

0 / 1

0 / 2

0 / 2

0 / 3

1akj

10 / 3

13 / 5

15 / 6

26 / 13

5 / 5

8 / 8

14 / 12

18 / 21

1s1q

0 / 0

0 / 0

0 / 0

0 / 0

4 / 12

5 / 16

6 / 30

8 / 41

3bp8

4 / 0

5 / 2

9 / 4

27 / 14

9 / 8

10 / 13

12 / 25

18 / 42

1pvh

0 / 0

0 / 0

0 / 0

0 / 0

2 / 1

2 / 1

3 / 2

5 / 3

2nz8

1 / 1

1 / 1

3 / 2

4 / 3

23 / 9

38 / 10

50 / 12

70 / 23

2j0t

2 / 2

3 / 2

7 / 3

11 / 7

10 / 5

12 / 5

20 / 8

30 / 20

7cei

0 / 1

0 / 1

0 / 1

0 / 4

5 / 1

6 / 1

7 / 1

7 / 1

1ijk

0 / 0

0 / 0

0 / 0

1 / 1

2 / 2

2 / 2

3 / 3

5 / 5

2o3b

0 / 0

0 / 0

0 / 0

10 / 4

0 / 0

0 / 0

0 / 0

1 / 1

1jwh

0 / 0

1 / 0

5 / 0

9 / 1

0 / 0

0 / 0

0 / 0

3 / 0

1i2m

0 / 0

0 / 0

0 / 0

3 / 0

1 / 1

3 / 1

6 / 3

12 / 6

2pcc

2 / 0

3 / 0

4 / 1

8 / 1

2 / 0

5 / 5

8 / 6

15 / 13

1h1v

0 / 0

0 / 0

0 / 0

0 / 0

2 / 2

3 / 3

5 / 6

10 / 8

1b6c

0 / 0

1 / 1

2 / 1

2 / 1

21 / 25

36 / 35

62 / 43

117 / 61

2hle

1 / 0

2 / 1

3 / 1

11 / 3

2 / 0

4 / 0

9 / 2

16 / 5

1bkd

0 / 0

0 / 0

0 / 0

0 / 0

19 / 6

35 / 9

67 / 15

106 / 20

1he1

11 / 6

18 / 12

30 / 17

53 / 34

32 / 3

42 / 5

77 / 9

140 / 17

1m10

16 / 5

19 / 5

27 / 11

54 / 17

36 / 9

54 / 14

75 / 17

106 / 22

1i4d

0 / 0

0 / 0

0 / 0

0 / 0

4 / 7

5 / 8

9 / 11

13 / 22

1azs

0 / 0

0 / 0

0 / 0

0 / 0

16 / 2

24 / 2

48 / 3

58 / 7

2sni

1 / 1

1 / 2

1 / 3

3 / 16

26 / 14

41 / 26

70 / 38

142 / 82

1gpw

0 / 1

2 / 1

2 / 3

13 / 10

25 / 14

42 / 22

73 / 26

132 / 41

1ofu

3 / 0

4 / 0

6 / 1

10 / 1

7 / 0

18 / 0

38 / 2

75 / 4

1z0k

1 / 1

3 / 1

16 / 4

39 / 20

36 / 17

58 / 27

92 / 43

179 / 85

1jzd

0 / 0

0 / 0

1 / 0

2 / 4

29 / 7

44 / 13

67 / 14

110 / 27

1fak

0 / 0

0 / 0

0 / 0

1 / 0

0 / 1

1 / 2

6 / 4

11 / 6

Av. gain

2,48

2,24

2,26

1,86

2,09

2,15

2,43

2,38