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

Journal of Genetic Engineering and Biotechnology

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

mAb	TNFA variants	TNFA structural changes	Ab chain	Surface area (Å²)		No. of bonds/interactions
mAb	TNFA variants	TNFA structural changes	Ab chain	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
GLM	Y141S	No structural damage	H	14314.38	2018.65	18	29	25	10
IFX	WT	–	L	18788.1	1193.27	25	28	39	9
IFX	R138W	No structural damage	L	18802.43	1180.42	25	28	37	9