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. 2016 Dec 5;1(6):1081–1103. doi: 10.1021/acsomega.6b00041

Table 1. Salt Bridges in α-CA and Their Length Variation at Different Simulation Temperatures.

		distance (Å)
	salt bridge	300 K	350 K	400 K	500 K
mesophilic α-CA	^Arg136NH1–^Asp194OD1	5.0	8.8	5.0	6.8
	^Arg136NH1–^Asp194OD2	6.7	6.9	3.2	6.9
	^Arg136NH2–^Asp194OD1	3.5	7.4	6.7	7.9
	^Arg136NH2–^Asp194OD2	5.6	5.5	5.2	7.8
thermophilic α-CA	^Lys36NZ–^Glu99OE1	4.6	4.5	4.3	5.3
	^Lys41NZ–^Glu223OE1	10.6	4.6	4.6	8.4
	^Lys39NZ–^Glu223OE1	3.4	2.9	3.0	3.7
	^Lys136NZ–^Glu133OE1	9.6	9.4	9.6	9.7
	^Arg165NH2–^Glu223OE1	4.0	8.0	8.0	9.0
meso_mutant α-CA	^Arg136NH1–^Asp194OD1	4.6	5.0	4.5	5.0
	^Arg136NH1–^Asp194OD2	4.6	4.1	7.7	4.0
	^Arg136NH2–^Asp194OD1	4.8	4.5	3.9	5.5
	^Arg136NH2–^Asp194OD2	4.5	4.7	4.9	6.6
	^Arg44NH1–^Glu226OE2	5.4	6.9	5.4	4.0
	^Arg44NH2–^Glu226OE2	4.2	5.3	4.0	4.5
	^Arg168NH1–^Glu226OE1	4.5	4.5	3.9	3.8
	^Arg168NH2–^Glu226OE1	5.4	5.8	3.7	3.7
	^Arg136NH1–^Glu139OE2	4.8	4.0	4.0	4.7