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Table 3 Γ optimality score for catalytic versus noncatalytic residues

From: PoPMuSiC 2.1: a web server for the estimation of protein stability changes upon mutation and sequence optimality

Γ threshold

(kcal/mol)

Catalytic residuesa

Other residuesa

 

All

(N = 3227)

Core

(N = 1784)

Surface

(N = 1443)

All

(N = 3.7 10 5 )

Core

(N = 1.6 10 5 )

Surface

(N = 2.1 10 5 )

Γ < 0.0

50.7%

52.6%

48.4%

38.2%

27.3%

46.3%

Γ < -0.25

39.4%

43.5%

34.4%

26.9%

21.1%

31.2%

Γ < -0.5

33.6%

38.5%

27.6%

21.3%

18.2%

23.7%

Γ < -1.0

27.7%

33.5%

20.7%

15.0%

14.4%

15.6%

Γ < -2.0

20.1%

26.3%

12.7%

8.8%

9.9%

8.1%

Γ < -3.0

15.1%

21.1%

7.8%

5.5%

7.1%

4.5%

Γ < -5.0

9.2%

14.0%

3.4%

2.4%

3.9%

1.5%

Γ < -7.5

5.1%

8.2%

1.4%

0.9%

1.9%

0.4%

Γ < -10.0

2.5%

4.4%

0.4%

0.4%

1.0%

0.1%

  1. a For each subset of our database, the fraction of residues whose optimality score Γ is lower than a given threshold is reported.