| Descriptors of VSW for 20 coded amino acids. |
| AA |
Abbr. |
V1 a |
V2 |
V3 |
V4 |
V5 |
V6 |
V7 |
V8 |
V9 |
| Ala |
A |
-11.63440 |
-1.89677 |
1.97792 |
-2.60584 |
-1.71457 |
-2.03136 |
-0.81805 |
0.64043 |
1.07973 |
| Arg |
R |
11.87107 |
-2.87032 |
2.74823 |
1.25733 |
1.14309 |
-0.47736 |
-2.72172 |
1.76875 |
1.44027 |
| Asn |
N |
-5.34951 |
7.68317 |
4.11656 |
4.17370 |
4.24926 |
-0.18850 |
-1.06525 |
-0.12846 |
-0.83938 |
| Asp |
D |
-4.02676 |
2.99296 |
-3.35851 |
-3.77013 |
1.92286 |
0.67174 |
1.55729 |
1.21043 |
-0.30098 |
| Cys |
C |
-5.65032 |
-2.87927 |
-2.99048 |
2.34350 |
0.87816 |
-1.94477 |
1.06906 |
-1.56170 |
2.61873 |
| Gln |
Q |
2.17649 |
-2.40014 |
0.84542 |
3.57161 |
-1.20118 |
-1.09218 |
-0.11427 |
0.05163 |
-0.88206 |
| Glu |
E |
2.36689 |
0.15236 |
-4.04847 |
0.80392 |
2.0369 |
0.99025 |
1.08696 |
2.34517 |
0.16624 |
| Gly |
G |
-11.7823 |
-13.69750 |
3.47023 |
0.20083 |
0.96530 |
3.07417 |
0.43997 |
-0.28232 |
-0.70226 |
| His |
H |
2.33867 |
0.36099 |
-1.56522 |
-1.07602 |
2.00162 |
-1.04105 |
-1.30003 |
-2.06728 |
-1.57000 |
| Ile |
I |
0.41167 |
6.40422 |
-1.24429 |
-1.62207 |
-1.23439 |
1.42428 |
0.04118 |
-0.17942 |
-0.41872 |
| Leu |
L |
0.26884 |
8.11636 |
2.89694 |
0.98231 |
-1.93394 |
3.15590 |
0.05848 |
-1.19562 |
1.52982 |
| Lys |
K |
9.00644 |
-2.09657 |
-3.35485 |
2.39215 |
0.37787 |
1.32714 |
-0.4619 |
-0.18649 |
0.33156 |
| Met |
M |
4.36305 |
-1.66543 |
-3.97675 |
-1.02332 |
0.13041 |
0.81746 |
-0.53974 |
-1.70327 |
0.08417 |
| Phe |
F |
7.26373 |
-4.36604 |
-1.09058 |
1.62148 |
-3.19585 |
-0.09336 |
0.40768 |
-0.10993 |
-0.66747 |
| Pro |
P |
-5.30690 |
3.18399 |
0.59462 |
4.27735 |
-1.52466 |
-1.51178 |
3.06724 |
0.32040 |
-0.68273 |
| Ser |
S |
-9.15545 |
2.32007 |
-0.49944 |
-2.26929 |
-0.12948 |
0.37200 |
-0.85265 |
0.99715 |
0.54608 |
| Thr |
T |
-4.22009 |
-0.27234 |
-1.39095 |
-2.53752 |
1.07003 |
-1.55739 |
-1.33781 |
-0.60839 |
-0.55772 |
| Trp |
W |
11.70248 |
0.16164 |
5.62047 |
-4.91875 |
0.56439 |
-0.73184 |
2.21604 |
-0.97258 |
0.31995 |
| Tyr |
Y |
8.54042 |
-1.52583 |
1.74131 |
-1.28473 |
0.10915 |
-0.95319 |
1.14174 |
1.10035 |
-0.57515 |
| Val |
V |
-3.18401 |
2.29446 |
-0.49218 |
-0.51649 |
-4.51497 |
-0.21018 |
-1.87421 |
0.56113 |
-0.92008 |
| a The 9 principal component scores are obtained by PCA on 99 WHIM descriptors. |
| References |
[1] J. B. Tong, S. L. Liu, P. Zhou, B. L. Wu, Z. L. Li, A novel descriptor of amino acids and its application in peptide QSAR, J. Theor. Biol., 253 (2008) 90-97. |
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