Table 2 Contact frequencies of cations and selected amino acids. Absolute and relative frequencies of cations approaching (being within 4 Å) the four amino acids forming the potential extracellular cation coordination site (bold entries) and other amino acids in their proximity. Frequencies are based on 300 ns MD simulations and are displayed for sodium and potassium ions separately, respectively, as well as accumulated for both cations
From: An extracellular cation coordination site influences ion conduction of OsHKT2;2
Sodium ions | Potassium ions | Sum of sodium and potassium ions | ||||
|---|---|---|---|---|---|---|
Residue | Absolute frequency | Relative frequency (%) | Absolute frequency | Relative frequency (%) | Absolute frequency | Relative frequency (%) |
F69 | 28 | 0.05 | 48 | 0.08 | 76 | 0.13 |
K70 | 306 | 0.50 | 273 | 0.45 | 579 | 0.95 |
P71 | 1117 | 1.84 | 156 | 0.26 | 1273 | 2.10 |
G72 | 690 | 1.14 | 134 | 0.22 | 824 | 1.36 |
Y73 | 12 | 0.02 | 0 | 0.00 | 12 | 0.02 |
I74 | 528 | 0.87 | 39 | 0.06 | 567 | 0.93 |
D75 | 819 | 1.35 | 43 | 0.07 | 862 | 1.42 |
M76 | 0 | 0.00 | 0 | 0.00 | 0 | 0.00 |
L77 | 0 | 0.00 | 0 | 0.00 | 0 | 0.00 |
W499 | 74 | 0.12 | 213 | 0.35 | 287 | 0.47 |
S500 | 97 | 0.16 | 322 | 0.53 | 419 | 0.69 |
D501 | 1105 | 1.82 | 307 | 0.51 | 1412 | 2.33 |
E502 | 2125 | 3.50 | 5042 | 8.31 | 7167 | 11.81 |
G503 | 0 | 0.00 | 12 | 0.02 | 12 | 0.02 |
K504 | 900 | 1.48 | 125 | 0.21 | 1025 | 1.69 |
L505 | 0 | 0.00 | 0 | 0.00 | 0 | 0.00 |
L506 | 0 | 0.00 | 1 | 0.00 | 1 | 0.00 |