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. 2022 Mar 4;298(4):101803. doi: 10.1016/j.jbc.2022.101803

Table 2.

Thermal protein stability predictions by CUPSAT and experimental TM values determined by DSF analysis (mean ± SD; N = 4)

Variant ΔΔGCUPSAT TorsionCUPSAT TM DD-DBD (DSF) TM DBD (DSF)
WT − − 35.8 ± 0.3 °C 42.2 ± 0.1 °C
P112L − 1.77 kcal/mol Unfavorable n.d. n.d.
R263C − 2.5 kcal/mol Unfavorable 36.6 ± 0.2 °C 41.3 ± 0.1 °C
N266S − 0.45 kcal/mol Unfavorable 35.1 ± 0.3 °C 38.4 ± 0.1 °C

Abbreviations: n.d., not determined.