Effects of the different number of bins for different CP attributes:

 

 

The default numbers of bins used for CP attributes are:

 

Sr.

Attribute

Symbol

#Bins

1

Type of CP

CT

4

2

Starting AA position of first SSE

AS

2

3

Starting SSE position of first SSE

SS

12

4

AA position difference

AD

4

5

SSE position difference

SD

20

6

Torsion angle between SSE vectors

Omega

16

7

Closest segment-segment distance of SSE vectors

MPD

16

8

Distance between nearest SSE vector vertex pair

VD

4

9

Mean of C-Alpha distances

MD

4

10

Contact density

CD

2

 

We run 9 experiments one for each attribute except CT. In each experiment, we change the number of bins for the attribute under examination from 0 to 32 in the discretization process, while using the default number of bins for the other attributes. We can observe the changes in the overall accuracy as shown in the following table. The columns of the changing values for each attribute and the default (best) valued rows are highlighted. The CT attribute is already a discrete one and no further discretization is required. The experiment setup is described in Section 5.1 of the paper.

 

Varied Attribute

CT

AS

SS

AD

SD

Omega

ND

VD

MD

CD

Top1

Top2

Top3

AS

4

0

12

4

20

16

16

4

4

2

90.00

96.00

98.83

 

4

2

12

4

20

16

16

4

4

2

90.50

96.67

99.33

 

4

4

12

4

20

16

16

4

4

2

90.33

96.67

99.33

 

4

8

12

4

20

16

16

4

4

2

89.50

96.00

98.83

 

4

12

12

4

20

16

16

4

4

2

88.67

95.50

98.17

 

4

16

12

4

20

16

16

4

4

2

89.00

96.00

98.83

 

4

20

12

4

20

16

16

4

4

2

88.67

95.00

98.50

 

4

24

12

4

20

16

16

4

4

2

88.00

95.17

98.33

 

4

28

12

4

20

16

16

4

4

2

88.50

95.00

96.83

 

4

32

12

4

20

16

16

4

4

2

86.67

94.00

97.50

SS

4

2

0

4

20

16

16

4

4

2

88.00

94.67

98.00

 

4

2

2

4

20

16

16

4

4

2

88.83

95.33

98.00

 

4

2

4

4

20

16

16

4

4

2

88.00

94.67

98.00

 

4

2

8

4

20

16

16

4

4

2

88.50

95.00

98.33

 

4

2

12

4

20

16

16

4

4

2

90.50

96.67

99.33

 

4

2

16

4

20

16

16

4

4

2

88.17

95.17

96.83

 

4

2

20

4

20

16

16

4

4

2

88.17

94.83

98.33

 

4

2

24

4

20

16

16

4

4

2

88.83

95.50

98.33

 

4

2

28

4

20

16

16

4

4

2

88.33

95.00

97.67

 

4

2

32

4

20

16

16

4

4

2

87.00

95.67

97.50

AD

4

2

12

0

20

16

16

4

4

2

89.17

96.00

98.83

 

4

2

12

2

20

16

16

4

4

2

90.00

96.50

99.33

 

4

2

12

4

20

16

16

4

4

2

90.50

96.67

99.33

 

4

2

12

8

20

16

16

4

4

2

90.00

95.83

98.83

 

4

2

12

12

20

16

16

4

4

2

89.17

96.00

98.83

 

4

2

12

16

20

16

16

4

4

2

89.67

94.83

98.00

 

4

2

12

20

20

16

16

4

4

2

88.50

94.33

98.00

 

4

2

12

24

20

16

16

4

4

2

88.33

94.83

98.50

 

4

2

12

28

20

16

16

4

4

2

88.67

94.17

97.50

 

4

2

12

32

20

16

16

4

4

2

86.67

93.83

97.83

SD

4

2

12

4

0

16

16

4

4

2

87.83

95.67

98.17

 

4

2

12

4

2

16

16

4

4

2

88.00

95.83

98.33

 

4

2

12

4

4

16

16

4

4

2

87.17

95.17

98.33

 

4

2

12

4

8

16

16

4

4

2

87.67

96.00

97.66

 

4

2

12

4

12

16

16

4

4

2

88.50

95.00

98.00

 

4

2

12

4

16

16

16

4

4

2

89.67

95.50

97.67

 

4

2

12

4

20

16

16

4

4

2

90.50

96.67

99.33

 

4

2

12

4

24

16

16

4

4

2

90.83

96.00

98.83

 

4

2

12

4

28

16

16

4

4

2

90.17

95.67

97.50

 

4

2

12

4

32

16

16

4

4

2

88.67

94.33

97.67

Omega

4

2

12

4

20

0

16

4

4

2

82.33

90.67

94.00

 

4

2

12

4

20

2

16

4

4

2

88.33

93.17

97.17

 

4

2

12

4

20

4

16

4

4

2

90.33

95.33

98.00

 

4

2

12

4

20

8

16

4

4

2

90.67

95.83

98.67

 

4

2

12

4

20

12

16

4

4

2

89.33

95.33

97.83

 

4

2

12

4

20

16

16

4

4

2

90.50

96.67

99.33

 

4

2

12

4

20

20

16

4

4

2

89.50

96.17

98.67

 

4

2

12

4

20

24

16

4

4

2

88.17

94.33

98.00

 

4

2

12

4

20

28

16

4

4

2

86.83

94.17

97.17

 

4

2

12

4

20

32

16

4

4

2

86.83

95.00

97.67

ND

4

2

12

4

20

16

0

4

4

2

87.83

95.17

97.67

 

4

2

12

4

20

16

2

4

4

2

87.83

95.17

97.67

 

4

2

12

4

20

16

4

4

4

2

88.33

95.00

97.67

 

4

2

12

4

20

16

8

4

4

2

89.00

95.83

98.17

 

4

2

12

4

20

16

12

4

4

2

90.50

96.50

98.33

 

4

2

12

4

20

16

16

4

4

2

90.50

96.67

99.33

 

4

2

12

4

20

16

20

4

4

2

90.17

96.17

98.67

 

4

2

12

4

20

16

24

4

4

2

88.83

95.67

98.16

 

4

2

12

4

20

16

28

4

4

2

89.16

96.33

98.17

 

4

2

12

4

20

16

32

4

4

2

87.50

95.33

97.17

VD

4

2

12

4

20

16

16

0

4

2

89.50

95.67

98.17

 

4

2

12

4

20

16

16

2

4

2

90.83

96.67

99.17

 

4

2

12

4

20

16

16

4

4

2

90.50

96.67

99.33

 

4

2

12

4

20

16

16

8

4

2

91.00

96.33

98.83

 

4

2

12

4

20

16

16

12

4

2

89.00

95.67

98.17

 

4

2

12

4

20

16

16

16

4

2

89.00

96.17

99.00

 

4

2

12

4

20

16

16

20

4

2

86.83

96.00

98.00

 

4

2

12

4

20

16

16

24

4

2

89.17

95.33

97.83

 

4

2

12

4

20

16

16

28

4

2

89.33

96.33

97.83

 

4

2

12

4

20

16

16

32

4

2

87.83

95.67

97.67

MD

4

2

12

4

20

16

16

4

0

2

90.00

96.33

98.33

 

4

2

12

4

20

16

16

4

2

2

89.17

96.67

99.33

 

4

2

12

4

20

16

16

4

4

2

90.50

96.67

99.33

 

4

2

12

4

20

16

16

4

8

2

89.17

95.67

98.17

 

4

2

12

4

20

16

16

4

12

2

90.17

96.50

98.67

 

4

2

12

4

20

16

16

4

16

2

88.83

95.17

98.67

 

4

2

12

4

20

16

16

4

20

2

85.83

95.67

98.67

 

4

2

12

4

20

16

16

4

24

2

88.00

95.67

97.50

 

4

2

12

4

20

16

16

4

28

2

87.33

95.00

98.33

 

4

2

12

4

20

16

16

4

32

2

86.33

94.83

97.50

CD

4

2

12

4

20

16

16

4

4

0

90.00

96.67

99.00

 

4

2

12

4

20

16

16

4

4

2

90.50

96.67

99.33

 

4

2

12

4

20

16

16

4

4

4

91.00

96.50

99.00

 

4

2

12

4

20

16

16

4

4

8

89.83

95.83

98.33

 

4

2

12

4

20

16

16

4

4

12

90.33

96.17

98.50

 

4

2

12

4

20

16

16

4

4

16

89.67

95.50

98.00

 

4

2

12

4

20

16

16

4

4

20

89.50

94.33

98.00

 

4

2

12

4

20

16

16

4

4

24

89.00

94.50

98.17

 

4

2

12

4

20

16

16

4

4

28

88.67

95.00

97.83

 

4

2

12

4

20

16

16

4

4

32

88.50

94.67

97.83