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Table 1 Number of predicted clashes by amino acid types in PDB structures that tolerate substitutions

From: PON-SC – program for identifying steric clashes caused by amino acid substitutions

 

PON-SC number

PON-SC (%)

SCWRL+ Probe number

SCWRL+ Probe (%)

Botha number

Both (%)

Totalb

Alanine

0

0

0

0

0

0

1165

Arginine

86

25.52

11

3.26

15

4.45

337

Asparagine

37

8.22

112

24.89

7

1.56

450

Aspartic acid

38

8.35

125

27.47

13

2.85

455

Cysteine

0

0

4

1.316

0

0

304

Glutamic acid

92

18.70

42

8.54

42

8.54

492

Glutamine

42

15

31

11.07

22

7.86

280

Glycine

0

0

0

0

0

0

393

Histidine

74

21.70

45

13.20

38

11.14

341

Isoleucine

94

33.45

38

13.52

42

14.95

281

Leucine

96

25.26

39

10.26

27

7.11

380

Lysine

53

19.41

6

2.20

5

1.83

273

Methionine

93

32.63

11

3.86

10

3.51

285

Phenylalanine

86

18.86

118

25.88

95

20.83

456

Proline

90

76.92

0

0

0

0

117

Serine

5

0.89

4

0.71

0

0

561

Threonine

78

24.68

30

9.49

28

8.86

316

Tryptophan

54

29.19

29

15.68

58

31.35

185

Tyrosine

110

30.05

76

20.77

71

19.40

366

Valine

122

34.08

41

11.45

42

11.73

358

  1. aDoes not include cases listed in PON-SC and SCWRL+Probe columns. bTotal number of substitutions in the dataset.