Table 1. Example Ligands from Figure 3.

PDB Code	Ligand	Protein	N Non-H	Contact	ΔG	xGen Strain	Model UB95	LEFF	Strain/N
1DF8	Biotin	Streptavidin S45A	16	1.00	–13.2	0.0	2.2	0.83	0.00
6GWR	Synthetic	DDR1 Kinase	41	0.92	–11.0	1.1	9.8	0.27	0.03
1PZI	Synthetic	Enterotoxin B	23	0.75	–5.7	2.3	3.9	0.25	0.10
5T9W	Synthetic	PPIA Cyclophilin	40	0.67	–7.6	1.6	5.9	0.19	0.04
3EOV	Cyclosporin	L. donovani Cyclophilin	85	0.41	–10.6	6.3	17.2	0.12	0.07
5GLH	Endothelin	ETB Receptor	171	0.74	–14.6	28.3	55.4	0.09	0.17