| Descriptors of SVRG for 20 coded amino acids. |
| AA |
Abbr. |
1 a |
2 |
3 |
4 |
5 |
6 |
7 |
8 |
9 |
10 |
11 |
12 |
13 |
14 |
15 |
16 |
| Ala |
A |
-7.8944 |
-0.8971 |
3.5421 |
0.2420 |
-0.5321 |
-0.2858 |
-0.6999 |
0.4211 |
0.1111 |
-0.3389 |
-5.9082 |
0.7197 |
-0.4996 |
1.1106 |
1.2405 |
-0.2713 |
| Arg |
R |
17.5769 |
-11.3412 |
1.1927 |
-1.8994 |
-0.7550 |
-0.0905 |
-0.2088 |
0.5582 |
-0.0158 |
0.0701 |
7.4386 |
-3.1167 |
4.6443 |
-0.2724 |
0.8752 |
-1.2578 |
| Asn |
N |
-2.8260 |
-2.4212 |
-3.3507 |
-0.0584 |
1.4997 |
2.0161 |
2.7727 |
-1.7785 |
0.8550 |
-1.0340 |
-3.2495 |
-2.6099 |
-1.4085 |
-0.0991 |
-1.3005 |
-1.1164 |
| Asp |
D |
-4.5483 |
-0.0121 |
0.1875 |
0.0109 |
-0.9499 |
1.9142 |
1.1343 |
0.0063 |
0.4384 |
-0.2222 |
-3.4151 |
-1.5233 |
-0.4735 |
0.8486 |
-2.1593 |
0.6811 |
| Cys |
C |
-6.7917 |
-1.2466 |
1.9419 |
0.7955 |
-1.0506 |
-0.7088 |
1.2641 |
0.4602 |
-0.0698 |
0.1137 |
-3.4528 |
4.8887 |
0.7554 |
-2.7832 |
-1.1356 |
-0.9146 |
| Gln |
Q |
0.6728 |
0.0303 |
-2.2631 |
0.0619 |
1.9420 |
-1.1759 |
0.7002 |
-0.7694 |
-1.1130 |
-0.7182 |
0.7412 |
-0.9023 |
3.0675 |
1.2869 |
-1.4086 |
0.0223 |
| Glu |
E |
-1.8994 |
0.3917 |
-1.6013 |
-0.1745 |
0.2322 |
-0.9452 |
0.8088 |
0.4639 |
0.0109 |
-1.2775 |
-0.6074 |
-0.9350 |
2.7600 |
1.4287 |
-2.2504 |
2.5563 |
| Gly |
G |
-9.5317 |
-1.5891 |
5.1560 |
0.6194 |
-0.4203 |
-0.6525 |
-0.2503 |
0.2995 |
-1.2300 |
-0.4339 |
-6.8679 |
2.8835 |
1.4014 |
2.8820 |
1.5407 |
-0.5376 |
| His |
H |
-1.4450 |
-0.0350 |
-1.2536 |
-0.3629 |
1.7360 |
-1.3811 |
-0.5462 |
-0.5050 |
-2.9701 |
0.4717 |
1.2963 |
-0.2267 |
0.2235 |
0.0099 |
-1.0526 |
-3.0805 |
| Ile |
I |
-0.0686 |
1.4303 |
-4.3247 |
-1.6996 |
0.7640 |
-0.3046 |
-1.5165 |
1.1682 |
-0.6018 |
-0.6483 |
-0.6107 |
-3.1206 |
-2.2368 |
-1.9152 |
1.3986 |
1.0304 |
| Leu |
L |
0.5394 |
2.3160 |
-4.6425 |
-0.8513 |
-1.7583 |
0.5731 |
-0.7643 |
0.8143 |
0.1033 |
1.1251 |
-0.7406 |
-3.4737 |
-1.9935 |
-1.5138 |
0.4502 |
0.8461 |
| Lys |
K |
7.0222 |
-0.6611 |
-1.1883 |
6.4838 |
0.5810 |
-0.9637 |
-1.8570 |
-0.6708 |
1.1044 |
-0.7456 |
3.0190 |
-0.3490 |
2.4237 |
-0.6669 |
3.2261 |
0.2049 |
| Met |
M |
-1.7032 |
-0.4693 |
-1.4478 |
2.0960 |
-0.1749 |
-1.1594 |
2.6295 |
2.0963 |
0.3437 |
2.5924 |
1.3496 |
3.1447 |
1.4995 |
-4.1297 |
-0.9596 |
1.0745 |
| Phe |
F |
-5.3789 |
0.5673 |
0.3261 |
-0.7033 |
-1.5043 |
0.1277 |
-1.3229 |
1.8310 |
0.9651 |
-1.4047 |
-3.2208 |
0.2478 |
-1.5559 |
-0.0085 |
0.8157 |
-0.5997 |
| Pro |
P |
5.9499 |
4.5434 |
2.2261 |
-2.5738 |
-0.7741 |
-3.7752 |
0.8819 |
-2.0654 |
1.6217 |
0.0400 |
6.3729 |
3.7134 |
-1.7188 |
1.5139 |
1.1937 |
1.2481 |
| Ser |
S |
-6.1313 |
-1.3685 |
1.7606 |
-0.1093 |
-0.4152 |
1.8597 |
-0.1317 |
-1.8226 |
-0.3163 |
0.2079 |
-5.3340 |
-0.3277 |
-1.1852 |
0.4623 |
-0.9085 |
-0.2604 |
| Thr |
T |
-4.4350 |
-0.8531 |
0.0328 |
-0.5665 |
0.5941 |
0.8999 |
-2.4932 |
-2.0566 |
0.7035 |
2.3847 |
-3.2382 |
-0.3181 |
-0.8146 |
-0.0062 |
1.1008 |
0.0714 |
| Trp |
W |
14.4057 |
6.1716 |
1.1030 |
0.9842 |
-3.2607 |
1.9050 |
0.5675 |
-0.6034 |
-1.6574 |
-0.1957 |
11.0178 |
0.4087 |
-3.3601 |
0.4752 |
-0.9542 |
-1.0383 |
| Tyr |
Y |
9.0291 |
4.6574 |
4.8093 |
-0.6647 |
4.3628 |
1.7911 |
0.0499 |
1.6500 |
0.6518 |
0.2976 |
7.4664 |
1.5601 |
-1.4356 |
1.7758 |
-0.5768 |
0.7847 |
| Val |
V |
-2.5423 |
0.7864 |
-2.2061 |
-1.6301 |
-0.1165 |
0.3560 |
-1.0181 |
0.5027 |
1.0652 |
-0.2843 |
-2.0567 |
-0.6638 |
-0.0932 |
-0.3990 |
8.8648 |
0.5566 |
| a The 16 principal component scores are derived from PCA of 150 radial distribution function and 74 geometrical descriptors. |
| References |
[1] J. Tong, T. Che, Y. Li, P. Wang, X. Xu, Y. Chen, A descriptor of amino acids: SVRG and its application to peptide quantitative structure-activity relationship, SAR and QSAR in Environ. Res., 22 (2011) 611-620. |
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