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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