In the 2 docked poses in Figure (a) and 1(b) with scores 72.68 and 70.13, the distance between N40 and CYS 145 sulfur atoms are 3.50 and 3.68 A. These distances are pointed out in relevance to the thionate reaction that covalently binds the two. The distance from these two poses are approximately 2 times the N-S bond distance of 1.8 A.