|
Amino acid
|
NH2
|
COOH
|
C
|
D
|
E
|
H
|
K
|
R
|
Y
|
|---|
|
EMBOSS [29]
|
8.6
|
3.6
|
8.5
|
3.9
|
4.1
|
6.5
|
10.8
|
12.5
|
10.1
|
|
DTASelect [30]
|
8
|
3.1
|
8.5
|
4.4
|
4.4
|
6.5
|
10
|
12
|
10
|
|
Solomons [31]
|
9.6
|
2.4
|
8.3
|
3.9
|
4.3
|
6
|
10.5
|
12.5
|
10.1
|
|
Sillero [32]
|
8.2
|
3.2
|
9
|
4
|
4.5
|
6.4
|
10.4
|
12
|
10
|
|
Rodwell [33]
|
8
|
3.1
|
8.33
|
3.68
|
4.25
|
6
|
11.5
|
11.5
|
10.07
|
|
Patrickios [34]
|
11.2
|
4.2
|
-
|
4.2
|
4.2
|
-
|
11.2
|
11.2
|
-
|
|
Wikipedia
|
8.2
|
3.65
|
8.18
|
3.9
|
4.07
|
6.04
|
10.54
|
12.48
|
10.46
|
|
Lehninger [35]
|
9.69
|
2.34
|
8.33
|
3.86
|
4.25
|
6
|
10.5
|
12.4
|
10
|
|
Grimsley [15]
|
7.7
|
3.3
|
6.8
|
3.5
|
4.2
|
6.6
|
10.5
|
12.04a
|
10.3
|
|
Toseland [36]
|
8.71
|
3.19
|
6.87
|
3.6
|
4.29
|
6.33
|
10.45
|
12
|
9.61
|
|
Thurlkill [37]
|
8
|
3.67
|
8.55
|
3.67
|
4.25
|
6.54
|
10.4
|
12
|
9.84
|
|
Nozaki [38]
|
7.5
|
3.8
|
9.5
|
4
|
4.4
|
6.3
|
10.4
|
12
|
9.6
|
|
Dawson [39]
|
8.2b
|
3.2b
|
8.3
|
3.9
|
4.3
|
6
|
10.5
|
12
|
10.1
|
|
Bjellqvist [16]
|
7.5
|
3.55
|
9
|
4.05
|
4.45
|
5.98
|
10
|
12
|
10
|
|
ProMoST [17]
|
7.26
|
3.57
|
8.28
|
4.07
|
4.45
|
6.08
|
9.8
|
12.5
|
9.84
|
|
IPC_protein
|
9.094
|
2.869
|
7.555
|
3.872
|
4.412
|
5.637
|
9.052
|
11.84
|
10.85
|
|
IPC_peptide
|
9.564
|
2.383
|
8.297
|
3.887
|
4.317
|
6.018
|
10.517
|
12.503
|
10.071
|
-
aArg was not included in the study, and the average pKa from all other pKa sets was taken
-
bNH2 and COOH were not included in the study, and they were arbitrary taken from Sillero set
