Table 1.

Parameters from simulated-annealing calculations of AF488 attached at Cys residues substituted within the FKBP sequence

FKBP labeling site	Distance to Cα (Å)	Sampled volume (Å3)	Sa	θcb
14	11.2	35,419	0.017	88.1
32	15.9	13,487	0.033	86.4
44	12.8	27,443	−0.014	91.6
49	12.3	35,695	0.024	87.4
85	10.4	36,959	−0.010	90.1

^aDefined in Eq. 6.

^bDefined in Eqs. 7 and 8.