Table 3.
Hydrogen bond occupancies between MEK1 and ANP during MD simulations (%).
| Hydrogen Bonds | WT | A52V | K57N | I103N | E102_I103 del | P124S | E203K | Pi_WT | |
|---|---|---|---|---|---|---|---|---|---|
| Donor | Accepter | ||||||||
| ASN78:N | ANP305:O2A | 35.93 | 37.54 | 20.99 | 36.85 | 33.17 | 27.21 | ||
| ASN78:ND2 | ANP305:O1A | 65.69 | 54.74 | 28.35 | 45.84 | 38.70 | 26.31 | 23.56 | |
| ASN78:N | ANP305:O2B | 71.79 | 90.78 | 69.31 | 69.79 | 56.52 | 52.90 | 58.42 | 56.78 |
| LYS97:NZ | ANP305:N3B | 35.51 | |||||||
| LYS97:NZ | ANP305:O2B | 26.01 | 22.45 | 24.21 | |||||
| ANP305:N3B | LYS56:CE | 21.57 | |||||||
| GLN144:NE2 | ANP305:C2 | 51.48 | 27.27 | 41.36 | 77.53 | 35.69 | |||
| GLN144:NE2 | ANP305:N1 | 35.71 | 27.53 | ||||||
| GLN144:NE2 | ANP305:C4 | 21.57 | 27.19 | 31.35 | |||||
| GLN144:NE2 | ANP305:N3 | 41.72 | 44.31 | 39.40 | 35.46 | ||||
| SER194:OG | ANP305:O1B | 37.23 | 37.59 |