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. 2017 Dec 21;12(12):e0189822. doi: 10.1371/journal.pone.0189822

Table 4. The binding fraction and sum of H+ binding (∑H+) of metabolite-cation complexes for non-mitochondrial muscle energy metabolism.

Non-competitive# Multiple Competitive Cation Binding
Complex pH = 6.0 pH = 7.0 pH = 6.0 pH = 7.0 Polynomial*
Phosphagen
Pi-3 3.0581E-7 1.1323E-5 A = -0.002923; B = 0.001429; C = -0.0002332; D = 1.271E-5
Pi-H 0.1190 0.4405 A = 34.78; B = -16.31; C = 2.513; D = -0.1263
Pi-H2 0.8490 0.3599 0.6690 0.2477 A = -44.77; B = 21.37; C = -3.293; D = 0.1655
Pi-H3 6.5382E-5 2.4208E-6 A = 0.02009; B = -0.008669; C = 0.00125; D = -6.014E-5
Pi-Mg 4.6090E-7 1.7065E-5 A = -0.004405; B = 0.002154; C = -0.0003515; D = 1.915E-5
Pi-HMg 4.5041E-3 1.6676E-2 A = 1.317; B = -0.6174; C = 0.09513; D = -0.00478
Pi-H2Mg 2.0119E-3 7.4491E-4 A = -0.1346; B = 0.06428; C = -0.009903; D = 0.0004976
Pi-K 1.4610E-7 5.4092E-6 A = -0.001396; B = 0.0006827; C = -0.0001114; D = 6.071E-6
Pi-HK 4.5148E-2 0.1672 A = 13.2; B = -6.189; C = 0.9535; D = -0.04792
Pi-H2K 0.1243 4.6040E-2 A = -8.32; B = 3.973; C = -0.6121; D = 0.03076
Pi-HK2 1.2411E-2 4.5953E-2 A = 3.629; B = -1.701; C = 0.2621; D = -0.01317
Pi-K2 9.2001E-8 3.4065E-6 A = -0.0008794; B = 0.0004299; C = -7.017E-5; D = 3.823E-6
Pi-Na 9.5840E-8 3.5485E-6 A = -0.000916; B = 0.0004479; C = -7.309E-5; D = 3.982E-6
Pi-HNa 7.2702E-3 2.6918E-2 A = 2.126; B = -0.9966; C = 0.1535; D = -0.007716
Pi-NaH2 1.5543E-2 5.7550E-3 A = -1.04; B = 0.4966; C = -0.07651; D = 0.003845
Pi-Na2 1.6130E-8 5.9722E-7 A = -0.0001542; B = 7.538E-5; C = -1.23E-5; D = 6.702E-7
Pi-Na2H 6.7242E-4 2.4896E-3 A = 0.1966; B = -0.09217; C = 0.0142; D = -0.0007136
∑H (Fraction) 1.8111 1.3002 A = -53.21; B = 25.89; C = -3.988; D = 0.2004
IMP-1 0.3109 0.8016 A = 43.5; B = -21.53; C = 3.495; D = -0.1843
IMP-H 0.6863 0.1795 0.6802 0.1754 A = -43.75; B = 22.15; C = -3.595; D = 0.1896
IMP-H2 1.3571E-5 3.4991E-7 A = 0.00513; B = -0.002233; C = 0.0003244; D = -1.573E-5
IMP-H3 3.4089E-11 8.7894E-14 A = 2.853E-8; B = -1.276E-8; C = 1.901E-9; D = -9.441E-11
IMP-Mg 3.4089E-11 8.7894E-14 A = 1.249; B = -0.6183; C = 0.1004; D = -0.005293
∑H (Fraction) 0.6802 0.1754 A = -43.74; B = 22.15; C = -3.595; D = 0.1896
AMP-1 0.2971 0.5182 A = -2.627; B = 0.1279; C = 0.1438; D = -0.01398
AMP-H 0.6131 0.1368 0.4708 0.0821 A = 4.207; B = 0.4092; C = -0.3479; D = 0.02933
AMP-H2 0.4708 0.0821 A = 1.446; B = -0.6357; C = 0.09325; D = -0.004562
AMP-Mg 2.9708E-2 2.9016E-2 A = -0.1471; B = 0.007162; C = 0.008052; D = -0.0007831
AMP-K 0.1787 0.3116 A = -1.58; B = 0.07694; C = 0.08648; D = -0.008411
AMP-Na 3.3804E-2 5.8963E-2 A = -0.2989; B = 0.01456; C = 0.01636; D = -0.001591
∑H (Fraction) 0.4768 0.0822 A = 7.098; B = -0.8623; C = -0.1614; D = 0.02021
NH3-1 5.4924E-4 5.4653E-4 A = -0.8459; B = 0.4163; C = -0.06853; D = 0.003775
NH3-H 0.9995 0.9945 0.9994 0.9945 A = 1.847; B = -0.4167; C = 0.06859; D = -0.003779
NH3-Mg 4.6549E-7 4.6320E-6 A = -0.0007169; B = 0.0003529; C = -5.808E-5; D = 3.2E-6
H (Fraction) 0.9994 0.9945 A = 1.847; B = -0.4167; C = 0.06859; D = -0.003779
ADP-4 0.1691 0.2713 A = -4.365; B = 1.483; C = -0.1452; D = 0.003993
ADP-H 0.7058 0.1935 0.4057 6.5077E-2 A = 14.14; B = -4.321; C = 0.3905; D = -0.008627
ADP-H2 3.0074E-3 4.8242E-5 A = 1.546; B = -0.6814; C = 0.1001; D = -0.004908
ADP-H3 1.4729E-7 2.3628E-10 A = 0.0001375; B = -6.164E-5; C = 9.211E-6; D = -4.586E-7
ADP-Mg 0.1723 0.2764 A = -4.447; B = 1.511; C = -0.148; D = 0.004068
ADP-HMg 9.4670E-3 1.5191E-3 A = 0.3301; B = -0.1009; C = 0.009114; D = -0.0002014
ADP-Mg2 4.0224E-3 6.453E-3 A = -0.1038; B = 0.03528; C = -0.003455; D = 9.497E-5
ADP-K 0.2029 0.3255 A = -5.237; B = 1.78; C = -0.1743; D = 0.004792
ADP-Na 3.3441E-2 5.3644E-2 A = -0.863; B = 0.2933; C = -0.02872; D = 0.0007896
∑H (Fraction) 0.4212 6.6669E-2 A = 17.56; B = -5.785; C = 0.5999; D = -0.01865
ATP-4 6.9979E-2 8.9269E-2 A = -2.695; B = 1.14; C = -0.1562; D = 0.007161
ATP-H 0.7512 0.2319 0.2113 2.6959E-2 A = 25.81; B = -10.52; C = 1.436; D = -0.0656
ATP-H2 2.0652E-3 2.6345E-5 A = 1.231; B = -0.545; C = 0.0805; D = -0.003964
ATP-H3 1.6405E-7 2.0927E-10 A = 0.0001619; B = -7.273E-5; C = 1.088E-5; D = -5.427E-7
ATP-H4 1.6405E-12 2.0927E-16 A = 2.034E-9; B = -9.184E-10; C = 1.382E-10; D = -6.924E-12
ATP-Mg 0.5286 0.6743 A = -20.36; B = 8.611; C = -1.18; D = 0.05409
ATP-HMg 2.6492E-2 3.3379E-3 A = 3.235; B = -1.319; C = 0.18; D = -0.008223
ATP-Mg2 1.5895E-2 2.0203E-2 A = -0.6122; B = 0.259; C = -0.03547; D = 0.001627
ATP-K 0.12442 0.1584 A = -4.783; B = 2.024; C = -0.2772; D = 0.01271
ATP-Na 2.1432E-2 2.7340E-2 A = -0.8254; B = 0.3492; C = -0.04783; D = 0.002193
∑H (Fraction) 0.2420 0.0304 A = 31.5; B = -12.93; C = 1.777; D = -0.08175
CrP-3 3.8454E-9 3.9391E-8 A = -6.198E-6; B = 3.049E-6; C = -5.016E-7; D = 2.762E-8
CrP-H 0.9693 0.9968 0.7673 0.7860 A = -3.893; B = 2.003; C = -0.2867; D = 0.01372
CrP-H2 2.4263E-2 2.4854E-3 A = 5.447; B = -2.33; C = 0.3335; D = -0.01596
CrP-H3 1.2160E-5 1.2457E-7 A = 0.008278; B = -0.003682; C = 0.0005461; D = -2.7E-5
CrP-H4 1.2160E-9 1.2465E-12 A = 1.267E-6; B = -5.698E-7; C = 8.539E-8; D = -4.263E-9
CrP-HMg 1.8327E-2 1.8774E-2 A = -0.09299; B = 0.04784; C = -0.006848; D = 0.0003278
CrP-K 2.5358E-9 2.5976E-8 A = -4.088E-6; B = 2.011E-6; C = -3.308E-7; D = 1.821E-8
CrP-HK 0.1880 0.1926 A = -0.9539; B = 0.4907; C = -0.07024; D = 0.003362
CrP-H2K 2.158E-3 2.2211E-4 A = 0.4846; B = -0.2073; C = 0.02967; D = -0.00142
∑H (Fraction) 1.0264 1.0027 A = 6.948; B = -2.545; C = 0.3643; D = -0.01744
Cr-1 5.0119E-5 5.0119E-5 A = 2.733E-5; B = -1.786E-5; C = -4.387E-6; D = -4.807–7; E = 1.984E-8
Cr-H 0.9999 0.9999 0.9999 0.9999 A = 1.002; B = -1.142E-3; C = -2.642E-4; D = -2.712–5; E = 1.042E-6
Cr-H2 1.1949E-16 1.1949E-17 A = 1.122E-13; B = -6.392E-14; C = -1.372E-14; D = -1.313E-15; E = 4.729E-17
∑H (Fraction) 1.008 1.008 A = 1.004; B = 2.197E-3; C = -5.145E-4; D = 5.349–5; E = -2.084E-6
Glycolysis
Glc-1 6.7608E-7 6.7608E-6 A = -0.00061; B = 0.000522; C = -8.587E-5; D = 4.728E-6
Glc-H 0.9999 0.9999 0.9999 0.9999 A = 1.001; B = -0.0005051; C = 8.317E-5; D = -4.585E-6
∑H (Fraction) 0.9999 0.9999 A = 1.001; B = -0.0005051; C = 8.317E-5; D = -4.585E-6
G1P-1 0.4218 0.7913 A = 5.187; B = -4.085; C = 0.876; D = -0.05459
G1P-H 0.5516 0.1095 0.5189 0.0973 A = -4.924; B = 4.663; C = -0.9997; D = 0.0623
G1P-H2 1.6410E-5 3.0790E-7 A = 0.007625; B = -0.003347; C = 0.0004901; D = -2.394E-5
G1P-Mg 5.9323E-2 0.1113 A = 0.7296; B = -0.5746; C = 0.1232; D = -0.007679
∑H (Fraction) 0.5189 0.0973 A = -4.917; B = 4.66; C = -0.9992; D = 0.06227
G6P-1 0.4370 0.8859 A = 16.52; B = -9.52; C = 1.734; D = -0.09897
G6P-H 0.5630 0.1141 0.5630 0.1141 A = -15.52; B = 9.52; C = -1.734; D = 0.09897
∑H (Fraction) 0.5630 0.1141 A = -15.52; B = 9.52; C = -1.734; D = 0.09897
F6P-1 0.5630 0.9280 A = -10.98; B = 3.216; C = -0.2088; D = -0.00107
F6P-H 0.4370 7.2033E-2 0.4370 7.2033E-2 A = 11.98; B = -3.215; C = 0.2087; D = 0.001079
F6P-H2 5.5016E-6 9.0684E-8 A = 0.002784; B = -0.001226; C = 0.0001801; D = -8.821E-6
∑H (Fraction) 0.4370 0.0720 A = 11.99; B = -3.217; C = 0.209; D = 0.001061
F1,6P-4 0.10371 0.5531 A = 66.06; B = -31.07; C = 4.814; D = -0.2445
F1,6P-H 0.8136 0.3039 0.4527 0.2414 A = -104.6; B = 46.72; C = -6.87; D = 0.3337
F1,6P-H2 0.3765 2.0081E-2 A = 27.92; B = -9.98; C = 1.15; D = -0.0419
F1,6P-H3 7.8669E-5 4.1955E-7 A = 0.04835; B = -0.02141; C = 0.003159; D = -0.0001555
F1,6P-H4 9.0324E-9 4.8171E-12 A = 9.113E-6; B = -4.094E-6; C = 6.127E-7; D = 3.056E-8
F1,6P-Mg 3.1186E-2 0.1663 A = 19.87; B = -9.343; C = 1.447; D = -0.07353
F1,6P-HMg 3.581E-2 1.9096E-2 A = -8.275; B = 3.695; C = -0.5434; D = 0.0264
∑H (Fraction) 1.2418 0.3007 A = -56.91; B = 30.39; C = -5.105; D = 0.2759
DHP-1 0.5505 0.9077 A = -10.7; B = 3.126; C = -0.2012; D = -0.001206
DHP-H 0.4427 7.3588E-2 0.4372 7.2099E-2 A = 11.94; B = -3.195; C = 0.2057; D = 0.001233
DHP-Mg 1.2271E-2 2.0234E-2 A = -0.2386; B = 0.06968; C = -0.004484; D = 2.688E-5
∑H (Fraction) 0.4373 7.210E-2 A = 11.94; B = -3.195; C = 0.2057; D = 0.001233
G3P-1 0.2619 0.7801 A = 54.45; B = -26.23; C = 4.155; D = -0.2146
G3P-H 0.7381 0.2199 0.7381 0.2199 A = -53.45; B = 26.23; C = -4.155; D = 0.2146
∑H (Fraction) 0.7381 0.2199 A = -53.45.; B = 26.23; C = -4.155; D = 0.2146
1,3BPG-1 3.0653E-2 0.2403 A = -14.27; B = 7.403; C = -1.288; D = 0.07518
1,3BPG-H 0.9696 0.7597 0.9693 0.7597 A = 15.27; B = -7.403; C = 1.288; D = -0.07518
H (Fraction) 0.9693 0.7597 A = 15.27; B = -7.403.; C = 1.288; D = -0.07518
3PG-1 0.3814 0.8605 A = 30.42; B = -15.81; C = 2.671; D = -0.1452
3PG-H 0.6186 0.1395 0.6186 0.1395 A = -29.42; B = 15.81; C = -2.671; D = 0.1452
∑H (Fraction) 0.6186 0.1395 A = -29.42; B = 15.81; C = -2.671; D = 0.1452
2PG-1 7.7010E-2 0.2509 A = 19.05; B = -9.065; C = 1.419; D = -0.0725
2PG-H 0.9091 0.5573 0.7701 0.2509 A = -55.86; B = 27.06; C = -4.236; D = 0.2164
2PG-Mg 1.3023E-2 4.2431E-2 A = 3.221; B = -1.533; C = 0.24; D = -0.01226
2PG-K 0.1399 0.4557 A = 34.59; B = -16.46; C = 2.577; D = -0.1317
∑H (Fraction) 0.7701 0.2509 A = -55.86; B = 27.06; C = -4.236; D = 0.2164
PEP-1 0.2085 0.3603 A = -2.13; B = 0.2359; C = 0.07674; D = -0.008518
PEP-H 0.6912 0.1829 0.4667 8.0650E-2 A = 5.792; B = -0.3185; C = -0.2374; D = 0.02377
PEP-H2 1.3153E-3 2.2730E-5 A = 0.6447; B = -0.2836; C = 0.0416; D = -0.002036
PEP-Mg 2.2761E-2 3.3933E-2 A = -0.2326; B = 0.02576; C = 0.008379; D = -0.00093
PEP-K 0.3008 0.5197 A = -3.073; B = 0.3404; C = 0.1107; D = -0.01229
∑H (Fraction) 0.4693 8.070E-2 A = 7.081.; B = -0.8856; C = -0.1542; D = 0.0197
PYR-1 0.9923 0.9925 A = 0.9502; B = 0.01817; C = -0.002608; D = 0.0001251
PYR-H 1.8194E-4 1.8197E-5 1.8057E-4 1.8060E-5 A = 0.0427; B = -0.01832; C = 0.00263; D = -0.0001262
PYR-Mg 7.4956E-3 7.4968E-3 A = 0.007175; B = 0.0001384; C = -1.988E-5; D = 9.545E-7
∑H (Fraction) 1.8057E-4 1.8060E-5 A = 0.0427; B = -0.01832; C = 0.00263; D = -0.0001262
La-1 0.9897 0.9938 A = -0.08489; B = 0.4629; C = -0.06641; D = 0.003186
La-H 4.6556E-3 4.6752E-4 4.6292E-3 4.6485E-4 A = 1.085; B = -0.4655; C = 0.06679; D = -0.003204
La-Mg 5.6709E-3 5.6947E-3 A = -0.0004883; B = 0.002653; C = -0.0003806; D = 1.826E-5
∑H (Fraction) 4.6292E-3 4.6485E-4 A = 1.085; B = -0.4655; C = 0.06679; D = -0.003204

#for most prevalent metabolite-H+ complex

*Binding fraction = A + Bx + Cx2 + Dx3 + Ex4, x = pH