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.