| Descriptors of HESH for 20 coded amino acids. |
| AA |
Abbr. |
V1 a |
V2 |
V3 |
V4 |
V5 |
V6 |
V7 |
V8 |
V9 |
V10 |
V11 |
V12 |
| Ala |
A |
0.59 |
-0.28 |
0.11 |
2.11 |
-1.54 |
-0.54 |
-0.45 |
0.24 |
-0.82 |
-1.19 |
-0.95 |
-0.58 |
| Arg |
R |
-0.64 |
-0.08 |
-4.07 |
0.07 |
1.51 |
1.04 |
1.42 |
2.05 |
0.71 |
0.66 |
1.85 |
0.18 |
| Asn |
N |
-0.76 |
-0.69 |
0.35 |
-0.43 |
-0.29 |
0.77 |
0.50 |
-0.08 |
0.46 |
-0.75 |
1.59 |
0.61 |
| Asp |
D |
-0.88 |
-0.76 |
0.18 |
0.37 |
-0.44 |
0.95 |
1.75 |
-2.31 |
0.93 |
-0.09 |
-0.17 |
-0.14 |
| Cys |
C |
2.09 |
-1.24 |
-0.17 |
-1.86 |
-1.03 |
-1.09 |
-1.07 |
-0.25 |
2.27 |
-0.20 |
0.67 |
-0.08 |
| Gln |
Q |
-1.15 |
-0.42 |
0.30 |
-0.71 |
0.35 |
1.09 |
0.02 |
0.20 |
0.75 |
-0.54 |
-0.26 |
-0.25 |
| Glu |
E |
-0.73 |
-0.79 |
-0.19 |
0.81 |
0.18 |
1.11 |
1.86 |
-2.04 |
-0.99 |
0.52 |
1.62 |
0.53 |
| Gly |
G |
0.53 |
-0.99 |
-0.06 |
0.69 |
-1.67 |
0.05 |
0.05 |
0.01 |
-1.25 |
-1.66 |
-0.87 |
-0.48 |
| His |
H |
-0.01 |
-0.46 |
0.55 |
-1.08 |
0.32 |
-0.42 |
1.15 |
0.81 |
0.40 |
0.85 |
1.01 |
0.41 |
| Ile |
I |
1.16 |
0.77 |
0.28 |
0.79 |
-0.30 |
-0.86 |
-0.90 |
-0.10 |
-1.26 |
0.39 |
-0.76 |
-0.72 |
| Leu |
L |
0.71 |
1.04 |
0.37 |
1.39 |
0.04 |
-0.74 |
-0.92 |
-0.11 |
-1.20 |
0.42 |
-0.86 |
-0.75 |
| Lys |
K |
-2.00 |
-0.09 |
0.94 |
0.89 |
0.98 |
1.91 |
1.48 |
2.06 |
-0.48 |
0.29 |
-1.67 |
3.86 |
| Met |
M |
0.93 |
-0.16 |
0.31 |
-0.93 |
0.33 |
-1.31 |
-0.92 |
-0.10 |
0.59 |
0.45 |
0.49 |
-0.26 |
| Phe |
F |
0.62 |
1.39 |
-0.14 |
-0.13 |
0.86 |
-1.39 |
-0.98 |
-0.30 |
0.68 |
1.30 |
-0.94 |
-0.66 |
| Pro |
P |
-0.92 |
0.44 |
0.55 |
-1.04 |
-0.22 |
0.52 |
-0.02 |
0.19 |
-1.31 |
-0.67 |
-0.94 |
-0.69 |
| Ser |
S |
-0.20 |
-0.95 |
0.29 |
-0.53 |
-1.06 |
0.85 |
-0.36 |
0.02 |
0.94 |
-1.65 |
0.33 |
0.01 |
| Thr |
T |
-0.10 |
-0.66 |
0.17 |
-0.19 |
-0.65 |
0.57 |
-0.45 |
0.13 |
0.69 |
-1.19 |
0.34 |
-0.06 |
| Trp |
W |
-0.33 |
2.77 |
-0.19 |
-1.17 |
1.85 |
-1.25 |
-0.75 |
-0.27 |
-0.48 |
2.13 |
0.39 |
-0.07 |
| Tyr |
Y |
-0.38 |
1.21 |
0.36 |
-0.02 |
1.55 |
-0.42 |
-0.62 |
-0.09 |
0.30 |
1.02 |
-0.01 |
-0.19 |
| Val |
V |
1.47 |
-0.03 |
0.05 |
0.98 |
-0.78 |
-0.82 |
-0.79 |
-0.06 |
-0.94 |
-0.11 |
-0.85 |
-0.68 |
| a These 12 vectors of HESH for 20 amino acids were obtained by PCA. The V1–V4 were hydrophobic properties, V5–V6 were steric properties, V7–V10 were electronic properties, and V11–V12 were hydrogen bond contribution properties. |
| References |
[1] M. Shu, H. Mei, S. B. Yang, L. M. Liao, Z. L. Li, Structural parameter characterization and bioactivity simulation based on peptide sequence, QSAR Comb Sci, 28 (2009) 27-35. |
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