TABLE 2.

Docking results for the catalytic and inhibitory conformation of salutaridine

Salutaridine was docked in both conformations to the three-dimensional model of each SalR variant. Most negative scores relate to highest expected affinity.

Version	Fitness scorea
	Catalytic	Inhibitory
SalR-WT	−63.5	−41.1
F104A	−53.6	−49.8
V106A	−53.7	−39.8
D107A	−59.2	−45.0
S181A	−69.6	−43.4
T182A	−58.5	−47.7
L185A	−47.5	−45.1
Ser	−56.2	−45.7
Val	−54.6	−46.4
K186V	−68.2	−40.7
L266A	−54.6	−43.3
M271A	−63.4	−43.7
N272A	−49.1	−44.9
I275A	−59.6	−43.2
Val	−61.3	−44.1
F104A/I275A	−50.0	−41.1

^a The scores are crude indications for the affinity of the ligand to the enzyme.