| Descriptors of GRID for 20 coded amino acids. |
| AA |
Abbr. |
t1 |
t2 |
t3 |
t4 |
t5 |
t6 |
t7 |
| Ala |
A |
-8.40 |
-8.01 |
-3.73 |
-3.65 |
-6.12 |
-1.59 |
1.56 |
| Arg |
R |
-2.27 |
18.90 |
-18.24 |
-3.47 |
3.03 |
6.64 |
0.45 |
| Asn |
N |
-3.11 |
-1.22 |
6.26 |
-9.38 |
9.94 |
7.66 |
-4.81 |
| Asp |
D |
-6.84 |
-0.94 |
17.68 |
-0.03 |
3.44 |
9.07 |
4.32 |
| Cys |
C |
-2.44 |
-1.96 |
0.93 |
-2.35 |
1.31 |
2.29 |
-1.52 |
| Gln |
Q |
-5.31 |
15.64 |
8.44 |
1.03 |
-4.32 |
-4.40 |
-0.52 |
| Glu |
E |
-6.50 |
16.20 |
17.28 |
3.11 |
-4.75 |
-2.54 |
4.72 |
| Gly |
G |
-8.48 |
-10.37 |
-5.14 |
-6.51 |
-11.84 |
-3.60 |
2.01 |
| His |
H |
15.28 |
-3.67 |
6.72 |
-6.38 |
4.12 |
-1.55 |
-2.85 |
| Ile |
I |
-2.97 |
4.64 |
-0.77 |
11.00 |
3.26 |
-4.36 |
-7.88 |
| Leu |
L |
2.61 |
5.96 |
1.97 |
2.59 |
-4.77 |
-4.84 |
-5.44 |
| Lys |
K |
2.70 |
13.46 |
-14.03 |
-2.55 |
2.77 |
0.15 |
3.19 |
| Met |
M |
3.38 |
12.43 |
-4.77 |
0.45 |
-1.55 |
-0.60 |
3.26 |
| Phe |
F |
21.59 |
-5.73 |
1.03 |
-3.30 |
2.64 |
-5.02 |
1.70 |
| Pro |
P |
-5.35 |
-9.07 |
-1.52 |
-8.79 |
-8.73 |
4.29 |
-9.91 |
| Ser |
S |
-15.88 |
-11.21 |
-2.44 |
-3.61 |
3.46 |
-0.37 |
8.98 |
| Thr |
T |
-17.81 |
-13.64 |
-5.19 |
10.57 |
6.91 |
-4.43 |
3.49 |
| Trp |
W |
21.68 |
-8.78 |
-2.53 |
15.53 |
-8.15 |
11.98 |
3.23 |
| Tyr |
Y |
23.90 |
-6.47 |
0.31 |
-4.14 |
4.08 |
-7.28 |
3.59 |
| Val |
V |
-5.80 |
-6.15 |
-2.26 |
9.87 |
5.28 |
-1.49 |
-7.54 |
| The 7 principal properties of the GRID scales are derived from PCA on interaction energies of 20 coded amino acids, with six different probes mimicking various functional groups which can be involved in peptide-peptide interactions. |
| References |
[1] M. Cocchi, E. Johansson, Amino-acids characterization by GRID and multivariate data-analysis, Quant. Struct.-Act. Relat., 12 (1993) 1-8. |
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