Table 1.

Values of the “length” and/or σ parameter values for HX-XL distance restraints

Restraint method	Method variant	Length/σ (Å)
		Fixed	v.Tight	Tight	Mod.	Loose	v.Loose
Control	C1	30	-	-	-	-	-
	C2	40	-	-	-	-	-
	C3	50	-	-	-	-	-
Slope	S1	-	20/0.0	20/2.5	20/5.0	20/7.5	20/10.0
	S2	-	30/0.0	30/3.0	30/6.0	30/9.0	30/12.0
Offset	O1	-	25	30	35	40	45
	O2	-	20	25	30	35	40
	O3	-	20	25	30	45	60
	O4	-	20	30	40	50	60

Values of σ represent the maximum likelihood value of the Gamma distribution.