Table 3:

Root-mean-square fluctuations (RMSF, in Å) of the catalytic residues and RNA-binding residues in the 3 simulated systems.

	nsp14	nsp14-nsp10	nsp14-nsp10-RNA
D90 (nsp14)	0.44 (0.56)	0.40 (0.52)	0.35 (0.39)
E92 (nsp14)	0.61 (1.18)	0.63 (1.16)	0.39 (0.76)
E191 (nsp14)	0.58 (0.76)	0.56 (0.75)	0.38 (0.61)
H268 (nsp14)	1.75 (2.33)	1.66 (2.21)	1.34 (2.05)
D273 (nsp14)	0.58 (0.97)	0.60 (0.92)	0.39 (0.45)
K9 (nsp14)	1.80 (2.59)	1.16 (1.62)	0.55 (0.67)
K61 (nsp14)	2.81 (3.49)	1.60 (2.26)	0.73 (1.25)
K139 (nsp14)	0.95 (1.56)	0.86 (1.52)	0.62 (1.18)
A1 (nsp10)		4.04 (4.12)	0.75 (0.82)

RMSF of Cα atoms were calculated after aligning trajectories to the initial model with respect to Cα atoms of residues 71–289 (core of the ExoN domain). RMSF of all atoms for each residue is presented in parenthesis. Catalytic residues of ExoN are underlined.