| Descriptors of QTMS(ADFQ) for 20 coded amino acids. |
| AA |
Abbr. |
ADFQ1 a |
ADFQ2 |
ADFQ3 |
ADFQ4 |
ADFQ5 |
ADFQ6 |
ADFQ7 |
| Ala |
A |
1.113 |
-3.053 |
1.864 |
1.477 |
-1.097 |
0.177 |
0.356 |
| Arg |
R |
0.334 |
1.765 |
0.604 |
1.205 |
-0.521 |
-0.293 |
0.619 |
| Asn |
N |
-0.437 |
-0.136 |
0.171 |
-1.459 |
-0.784 |
0.614 |
0.179 |
| Asp |
D |
0.478 |
1.747 |
1.076 |
0.042 |
-1.812 |
-0.258 |
-0.103 |
| Cys |
C |
-0.416 |
-0.519 |
-0.106 |
0.293 |
-0.050 |
0.312 |
-0.586 |
| Gln |
Q |
-0.311 |
-0.234 |
0.080 |
-1.429 |
-0.871 |
0.755 |
0.125 |
| Glu |
E |
0.265 |
0.498 |
2.638 |
-0.922 |
3.096 |
0.329 |
0.322 |
| Gly |
G |
3.761 |
0.039 |
-1.725 |
-0.657 |
0.631 |
0.119 |
-0.079 |
| His |
H |
-0.205 |
-0.418 |
0.138 |
-0.948 |
-0.076 |
-3.969 |
-0.896 |
| Ile |
I |
-0.527 |
-0.176 |
-0.569 |
0.279 |
0.376 |
0.536 |
-1.264 |
| Leu |
L |
-0.527 |
-0.178 |
-0.565 |
0.282 |
0.381 |
0.548 |
-1.268 |
| Lys |
K |
-0.585 |
-0.093 |
-0.558 |
0.301 |
0.476 |
0.307 |
-1.177 |
| Met |
M |
-0.510 |
-0.328 |
-0.464 |
0.932 |
0.539 |
0.047 |
-0.923 |
| Phe |
F |
-0.560 |
0.008 |
-0.984 |
0.802 |
0.591 |
-0.183 |
1.388 |
| Pro |
P |
-0.484 |
-0.148 |
-0.571 |
0.177 |
0.326 |
0.321 |
-0.748 |
| Ser |
S |
-0.318 |
-0.074 |
0.055 |
-1.778 |
-0.909 |
0.594 |
0.758 |
| Thr |
T |
-0.393 |
-0.127 |
-0.141 |
-1.091 |
-0.460 |
0.522 |
0.054 |
| Trp |
W |
-0.593 |
-0.112 |
-0.770 |
0.777 |
0.476 |
-0.604 |
2.217 |
| Tyr |
Y |
-0.481 |
-0.043 |
-0.761 |
0.263 |
0.233 |
-0.140 |
1.782 |
| Val |
V |
0.394 |
1.584 |
0.586 |
1.453 |
-0.546 |
0.267 |
-0.759 |
| a The amino acids indices of QTMS are obtained by application of PCA on the unfolded loadings of the a data matrix of QTMS of all bonds of amino acids. |
| References |
[1] B. Hemmateenejad, S. Yousefinejad, A. R. Mehdipour, Novel amino acids indices based on quantum topological molecular similarity and their application to QSAR study of peptides, Amino Acids, 40 (2011) 1169-1183. |
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