| Descriptors of ISA-ECI for 20 coded amino acids. |
| AA |
Abbr. |
ISA a |
ECI b |
| Ala |
A |
62.90 |
0.05 |
| Arg |
R |
52.98 |
1.69 |
| Asn |
N |
17.87 |
1.31 |
| Asp |
D |
18.46 |
1.25 |
| Cys |
C |
78.51 |
0.15 |
| Gln |
Q |
19.53 |
1.36 |
| Glu |
E |
30.19 |
1.31 |
| Gly |
G |
19.93 |
0.02 |
| His |
H |
87.38 |
0.56 |
| Ile |
I |
149.77 |
0.09 |
| Leu |
L |
154.35 |
0.10 |
| Lys |
K |
102.78 |
0.53 |
| Met |
M |
132.22 |
0.34 |
| Phe |
F |
189.42 |
0.14 |
| Pro |
P |
122.35 |
0.16 |
| Ser |
S |
19.75 |
0.56 |
| Thr |
T |
59.44 |
0.65 |
| Trp |
W |
179.16 |
1.08 |
| Tyr |
Y |
132.16 |
0.72 |
| Val |
V |
120.91 |
0.07 |
a The isotropic surface area (ISA) approximates the hydrophobic character of the side chain substituent;
b The electronic charge index (ECI) is a measure of the charge concentration of the amino acid. Each residue was described by a combination of ISA and ECI descriptors. |
| References |
[1] E. R. Collantes, W. J. Dunn, 3rd, Amino acid side chain descriptors for quantitative structure-activity relationship studies of peptide analogues, J. Med. Chem., 38 (1995) 2705-2713. |
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