TABLE 1.

Setup of the MD simulations on B. caldolyticus cold shock protein (Bc-Csp) and B. subtilis cold shock protein B (Bs-CspB)

Proteins	Bc-Csp			Bs-CspB
PDB	1c9oA			1csp
Temperature	300 K	500 K	600 K	300 K	500 K	600 K
Protein atoms	1,020	1,020	1,020	1,014	1,014	1,014
Counterions (Na+)	2	2	2	6	6	6
Water	4,375	10,350	10,350	4,722	11,095	11,095
Total atoms	14,147	32,072	32,072	15,186	34,305	34,305
Box size (Å3)	55 × 50 × 51	77 × 71 × 72	77 × 71 × 72	55 × 50 × 55	76 × 71 × 76	76 × 71 × 76
Ensemble	NTP	NTV	NTV	NTP	NTV	NTV
Total time (ns)	12.000	50.699	6.00	12.00	20.043	6.00