Table 2:

Number of K⁺/Cl^- ions needed when only one/none site-specific chelated Mg²⁺ present. These are unphysical ion-environment conditions at high temperature, T*, purposefully built to understand site-specific chelation effects. In each condition-dependent simulation, raw salt concentration []* corrected bulk concentrations [] determined (using the aforesaid approach) and calculated preferential interaction coefficients,Γ.

site1 Mg2+	+	-
site2 Mg2+	-	+
[Mg2+] =2.0 mM	-	-
Temp ➔	T*	T*
NMg2+	1	1
NK+	138	138
NCl−	48	48
[Mg2+ ]* mM a	-	-
[K+]* mM	114	115
[Cl−]* mM	99.2	99.6
[Mg2+] mM b	-	-
[K+] mM	106.0	106.7
[Cl−] mM	106.0	106.7
ΓMg2+	-	-
ΓK+	77.57	76.17
ΓCl-	−12.43	−12.83

^aRaw concentration: Raw concentrations are determined 20 Å beyond RNA (asterisk),

^bCorrected bulk concentrations are determined using a small potential perturbation approximation method.