Table 1.
Average number of hydrogen bonds and atomic fluctuations in simulations of DHFR in closed state at 279 K and different pressures; Phi = 220 bar for EcDHFR and D27E EcDHFR and Phi = 800 bar for MpDHFR and MyDHFR.
| Protein | P = 1 bar | P hi | ||
|---|---|---|---|---|
| NHB | 〈ΔrHA2〉 (Å2) | NHB | 〈ΔrHA2〉 (Å2) | |
| EcDHFR * | 105 ± 2 | 0.57 ± 0.07 | 104 ± 4 | 0.60 ± 0.08 |
| D27E EcDHFR * | 103 ± 3 | 0.60 ± 0.04 | 109 ± 1 | 0.50 ± 0.04 |
| MpDHFR | 104 ± 2 | 0.54 ± 0.04 | 106 ± 3 | 0.53 ± 0.03 |
| MyDHFR | 107 ± 2 | 0.54 ± 0.05 | 105 ± 1 | 0.54 ± 0.06 |
* From previous work [44].