Descriptors of ProtFP for 20 coded amino acids. |
AA |
Abbr. |
PC1 a |
PC2 |
PC3 |
PC4 |
PC5 |
PC6 |
PC7 |
PC8 |
Ala |
A |
-0.10 |
-4.94 |
-2.13 |
1.70 |
-0.39 |
1.06 |
-1.39 |
0.97 |
Arg |
R |
-2.79 |
6.60 |
1.21 |
2.07 |
1.67 |
0.76 |
0.00 |
0.32 |
Asn |
N |
-4.88 |
0.81 |
0.14 |
-0.14 |
1.23 |
-0.65 |
1.02 |
-1.94 |
Asp |
D |
-6.61 |
0.94 |
-3.04 |
-4.58 |
0.48 |
-1.31 |
0.10 |
0.94 |
Cys |
C |
4.62 |
-3.54 |
1.50 |
-1.26 |
3.27 |
-0.34 |
-0.47 |
-0.23 |
Gln |
Q |
-3.95 |
2.88 |
-0.83 |
0.52 |
0.90 |
0.55 |
-0.08 |
0.64 |
Glu |
E |
-5.10 |
2.20 |
-3.59 |
-2.26 |
-2.14 |
1.35 |
-0.45 |
-1.31 |
Gly |
G |
-5.70 |
-9.72 |
4.18 |
-1.35 |
-0.31 |
2.91 |
0.32 |
-0.11 |
His |
H |
0.17 |
2.14 |
1.20 |
0.71 |
1.16 |
-0.38 |
-1.85 |
-2.79 |
Ile |
I |
6.58 |
-1.73 |
-2.49 |
1.09 |
-0.34 |
-0.28 |
1.97 |
-0.92 |
Leu |
L |
5.76 |
-1.33 |
-1.71 |
0.63 |
-1.70 |
0.71 |
-0.05 |
-0.51 |
Lys |
K |
-4.99 |
5.00 |
0.70 |
3.00 |
-1.23 |
1.41 |
0.19 |
0.87 |
Met |
M |
5.11 |
0.19 |
-1.02 |
0.15 |
0.13 |
-0.30 |
-2.95 |
0.50 |
Phe |
F |
6.76 |
0.88 |
0.89 |
-1.12 |
-0.49 |
-0.55 |
-0.87 |
1.05 |
Pro |
P |
-3.82 |
-2.31 |
3.45 |
1.00 |
-3.22 |
-3.54 |
-0.36 |
-0.30 |
Ser |
S |
-3.82 |
-2.31 |
3.45 |
1.00 |
-3.22 |
-3.54 |
-0.36 |
-0.30 |
Thr |
T |
-2.00 |
-1.77 |
-0.70 |
1.02 |
1.06 |
-1.02 |
0.74 |
1.65 |
Trp |
W |
7.33 |
4.55 |
2.77 |
-2.41 |
-1.08 |
1.04 |
0.23 |
0.59 |
Tyr |
Y |
3.14 |
3.59 |
2.45 |
-1.27 |
-0.06 |
-0.29 |
1.99 |
0.30 |
Val |
V |
5.04 |
-2.90 |
-2.29 |
1.38 |
0.06 |
0.08 |
1.79 |
-0.38 |
a The 8 principal component scores based on a PCA analysis of 58 amino acids properties explain 92% of the variances. For these predominant components, the first one is related to hydrophobicity and the second one is related to the size of amino acids. |
References |
[1] G. J. van Westen, R. F. Swier, J. K. Wegner, A. P. Ijzerman, H. W. van Vlijmen, A. Bender, Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets, J. Cheminformatics, 5 (2013) 41. |
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