P-degrees of salt bridges in the concatenated equilibrium MD trajectories of the psychrophilic VPR, mesophilic PRK, and thermophilic AQN at temperatures of 283, 300, and 343 K.
Salt bridgea | VPRb (%) | PRKb (%) | AQNb (%) | ||||||
---|---|---|---|---|---|---|---|---|---|
283 K | 300 K | 343 K | 283 K | 300 K | 343 K | 283 K | 300 K | 343 K | |
100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | |
— | — | — | 100 | 100 | 100 | — | — | — | |
Arg16-Asp278 (c) | 25 | 34 | 45 | — | — | — | — | — | — |
Asp17-Arg260 (c) | — | — | — | — | — | — | 100 | 99 | 99 |
Asp29-Lys86 | 19 | 0 | 27 | — | — | — | — | — | — |
Arg31-Glu239 (c) | — | — | — | — | — | — | 78 | 57 | 66 |
Glu43-Arg64 | — | — | — | 68 | 40 | 73 | — | — | — |
— | — | — | — | — | — | 86 | 65 | 28 | |
— | — | — | — | — | — | 0 | 8 | 20 | |
Glu48-Arg80 (c) | — | — | — | 98 | 95 | 74 | — | — | — |
— | — | — | 93 | 90 | 93 | — | — | — | |
— | — | — | 34 | 47 | 59 | — | — | — | |
100 | 100 | 100 | — | — | — | 84 | 100 | 100 | |
99 | 98 | 99 | — | — | — | — | — | — | |
— | — | — | 0 | 40 | 6 | — | — | — | |
— | — | — | — | — | — | 7 | 31 | 37 | |
— | — | — | 96 | 68 | 90 | — | — | — | |
Asp112-Arg116 | — | — | — | — | — | — | 79 | 61 | 81 |
Asp112-Arg147 (c) | — | — | — | 38 | 50 | 62 | — | — | — |
Asp117-Arg121 (c) | — | — | — | 100 | 100 | 99 | — | — | — |
Asp142-Arg173 (c) | 95 | 99 | 100 | — | — | — | 100 | 100 | 94 |
Lys146-Glu176 | — | — | — | — | — | — | 65 | 34 | 62 |
Asp165-Arg167 | — | — | — | 36 | 41 | 85 | — | — | — |
Asp184-Arg188 (c) | — | — | — | 93 | 87 | 74 | — | — | — |
Arg185-Asp207 | — | — | — | 37 | 21 | 13 | — | — | — |
34 | 85 | 90 | — | — | — | — | — | — | |
Glu240-Arg255 (c) | 100 | 99 | 98 | — | — | — | — | — | — |
Arg250-Asp254 | — | — | — | 19 | 47 | 40 | — | — | — |
Glu258-Lys271 | 62 | 75 | 79 | — | — | — | — | — | — |
22 | 55 | 78 | — | — | — | — | — | — |
Salt bridges identified in the crystal structures are followed by ‘c’ in parentheses; salt bridges common to the three proteases (absolutely conserved) are in bold; salt bridges shared between VPR and AQN (conserved) are bolded and italicized; salt bridges participating in the salt-bridge network are underlined.
P-degree is the percentage of the frames in which a given salt bridge exists. If a salt bridge does not exist at any temperature, it is indicated as ‘—’; if the P-degree of a salt bridge at any of the three temperatures is greater than 20%, its P-degrees at all three temperatures are also shown.