. 2023 Jan 23;6:100449. doi: 10.1016/j.crfs.2023.100449

Table 3.

Single molecule level details on the effect of temperature on main soy proteins (7S and 11S).

Molecular descriptors	7S		11S
Molecular descriptors	50 °C	85 °C	50 °C	85 °C
Energy descriptors
Potential energy, kJ/mol	(-2418.77 ± 1.41)· 10^3 b	(-2286.04 ± 1.54)· 10^{3 a}	(-2448.11 ± 1.53)· 10^3 b	(-2314.16 ± 1.46)· 10^{3 a}
Total energy, kJ/mol	(-1694.01 ± 1.05)· 10^3 b	(-1483.00 ± 1.06)· 10^{3 a}	(-1711.46 ± 1.49)· 10^3 b	(-1497.73 ± 0.95)· 10^{3 a}
Surface descriptors
Total surface exposed to solvent, nm²
protein	428.88 ± 3.79^a	422.02 ± 2.69^b	408.91 ± 2.35^a	395.92 ± 2.72^b
Gln residues	33.61 ± 1.09^a	33.34 ± 0.76^a	44.19 ± 0.86^a	36.84 ± 0.50^b
Lys residues	73.49 ± 1.39^a	73.12 ± 0.65^a	47.54 ± 0.68^a	47.81 ± 0.42^a
Hydrophobic surface exposed to solvent, nm²
protein	208.66 ± 2.34^a	202.03 ± 2.016^b	203.77 ± 1.39^a	198.10 ± 1.59^b
Gln residues	11.93 ± 0.38^a	11.33 ± 0.21^b	15.42 ± 0.42^a	13.06 ± 0.47^a
Lys residues	54.84 ± 0.95^a	54.08 ± 0.64^a	34.88 ± 0.54^a	35.29 ± 0.52^a
Hydrogen bonding
Number of hydrogen bonds
within protein	880 ± 14^a	838±7^b	892 ± 14^a	871 ± 18^b
involving Gln residues	71±5^a	76±7^a	102±6^b	117 ± 10^a
involving Lys residues	47±6^a	43±5^a	39±4^b	36±1^a
Number of hydrogen bonds between solute and water
protein – water	1752 ± 27^a	1714 ± 28^b	1501 ± 26^a	1424 ± 23^b
Gln residues – water	119±5^a	120±5^a	166±9^a	126±7^b
Lys residues – water	188 ±8^a	183±7^a	137±7^a	128±6^b

For a soy protein (7S or 11S), values from a line that share same superscript letter (a, b) are not significantly different (p > 0.05).