Table 3.

FoldX energy changes and mCSM-lig ligand binding affinity fold change prediction upon mutation in ESR1.

Index	Mutations	ΔΔS ENCoM	Affinity fold change	Docking score
1.	Wild	00	0.00	−10.5
2.	K303R	0.032	−0.445	−9.54
3.	E380Q	0.338	−1.399	−6.27
4.	D538G	0.355	−0.909	−8.97
5.	Y537S	0.340	−1.098	−8.63
6.	Y537N	1.011	−0.878	−8.87
7.	H524E	0.109	−0.429	−8.7
8.	V392I	0.25	0.154	−10.5
9.	S463P	0.758	−1.305	−9.54
10.	P535H	0.1	0.481	−6.27
11.	L536H	0.517	0.444	−8.97
12.	Y537C	0.699	−0.931	−8.63

For the wild type, the experimental concentration already reported 0.138 nM was used.