. 2016 Oct 24;113(45):E6939–E6945. doi: 10.1073/pnas.1611418113

Table S1.

¹⁵N-¹H TROSY-HSQC–based folding free energy differences for apoSOD1^2SH variants

Variant of apoSOD1^2SH	ΔG⁰_unfolding, kcal/mol^*
pWT^†	2.2 ± 0.3
A4V	1.0
V148G	0.3
H46R	2.5
G85R	1.3
G37R	0.7
G93A	−0.2
E100G	0.5

Values of ΔG⁰_unfolding were calculated as $Δ G_{u n f o l d i n g}^{0} = R T l n \frac{V_{N}}{V_{U}}$ , where R is the gas constant (R = 1.98 cal⋅K⁻¹⋅mol⁻¹), T is the absolute temperature (T = 298 K), and V_N and V_U are the volumes of Trp-32 indole side-chain peaks derived from native and unfolded conformers, as measured in TROSY-HSQC spectra (23). Volumes were determined by integrating peaks using the software package Sparky (50) and were not corrected for differential relaxation of native and unfolded state magnetization during the delays in the pulse sequence.

^{^†}

Error in the value for pWT was estimated as 1 SD about the mean of measurements made on three independent samples. The largest contribution to errors in ΔG⁰_unfolding results from sample variability (extent of unfolding increases slightly over time, despite the absence of peaks reporting on degradation). Multiple samples were not available for disease mutants.