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Table 6 Effects of selected variants on TNFA structure and TNFA-mAb interactions

From: Missense variants in the TNFA epitopes and their effects on interaction with therapeutic antibodies—in silico analysis

mAb TNFA variants TNFA structural changes Ab chain Surface area (Å2) No. of bonds/interactions
Total Buried van der Waals H-bonds Weak H-bonds Ionic interactions
ADA WT L 18368.58 1904.76 23 27 28 5
G66C Expansion of cavity volume by 74.088 Å3 L 18382.12 2044.42 21 23 31 5
G66S Expansion of cavity volume by 79.92 Å3 L 18380.93 2040.04 22 23 31 5
CZP WT H 19609.53 1285.39 32 33 38 5
WT L 18577.46 1819.46 34 36 36 9
R131Q No structural damage H 19622.71 1284.04 33 32 38 5
E135G No structural damage L 19622.71 1800.98 35 36 36 9
R138Q No structural damage L 18570.75 1786.87 34 36 35 9
R138W No structural damage L 18546.29 1841 34 36 36 9
GLM WT H 14262.13 2020.62 21 29 25 10
Y141S No structural damage H 14314.38 2018.65 18 29 25 10
IFX WT L 18788.1 1193.27 25 28 39 9
R138W No structural damage L 18802.43 1180.42 25 28 37 9