| . | Independent and combined effects of alternating-access rates and substrate off-rates on transport outcome . | Simulating the 10-state model . | Understanding the effects of ΔpH on Transport in the 8- and 10-state models . | Understanding how drug-induced rate constants may drive antiport vs. symport . | ||||
|---|---|---|---|---|---|---|---|---|
| Parameter (Unit) . | Fig. 7 A . | Fig. 7 B . | Fig. 7 C . | Fig. 8 . | Fig. 9 (8-state) . | Fig. 9 (10-state) . | Fig. 10 A . | Fig. 10 B . |
| k1 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 |
| k2 (s−1) | 1,000 | 1–1,000,000 | 1–1,000,000 | 1–1,000,000 | 63.1 | 63.1 | 63.1 | 1,000 |
| k3 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 |
| k4 (s−1) | 1,000 | 1–1,000,000 | 1–1,000,000 | 1–1,000,000 | 63.1 | 63.1 | 63.1 | 1,000 |
| k5 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 |
| k6 (s−1) | 1,000 | 1–1,000,000 | 1–1,000,000 | 1–1,000,000 | 1,584 | 1584 | 6.3 × 10−5–6.3 × 107a | 0.001–1 × 109* |
| k7 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 |
| k8 (s−1) | 1,000 | 0.01–10,000 | 0.01–10,000 | 0.01–10,000 | 1,584 | 1584 | 6.3 × 10−5–6.3 × 107a | 0.001–1 × 109* |
| k9 (M−1 s−1) | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 |
| k10 (s−1) | 1 | 0.01–10,000 | 0.01–10,000 | 0.01–10,000 | 0.631 | 0.631 | 0.01–10,000 | 0.01–10,000 |
| k11 (M−1 s−1) | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 |
| k12 (s−1) | 1 | 0.01–10,000 | 0.01–10,000 | 0.01–10,000 | 0.631 | 0.631 | 0.01–10,000 | 0.01–10,000 |
| k13 (M−1 s−1) | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 |
| k14 (s−1) | 1 | 0.01–10,000 | 0.01–10,000 | 0.01–10,000 | 10 | 10 | 0.01–10,000 | 0.01–10,000 |
| k15 (M−1 s−1) | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 |
| k16 (s−1) | 1 | 0.01–10,000 | 0.01–10,000 | 0.01–10,000 | 10 | 10 | 0.01–10,000 | 0.01–10,000 |
| k17 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 100 | 100 | 100 | 100 |
| k18 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 100 | 100 | 100 | 100 |
| k19 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 40 | 40 | 40 | 40 |
| k20 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 40 | 40 | 40 | 40 |
| k21 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 7.3 | 7.3 | 1–100 | 1–100 |
| k22 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 7.3 | 7.3 | 1–100 | 1–100 |
| k23 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 8.9 | 8.9 | 1–100 | 1–100 |
| k24 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 8.9 | 8.9 | 1–100 | 1–100 |
| k25 (s−1) | 1 | 220 | 220 | 220 | ||||
| k26 (s−1) | 1 | 220 | 220 | 220 | ||||
| k27 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | ||||
| k28 (s−1) | 10, 100, 316.2, 1,000, 100,000, 1,000,000 | 1,000 | 1,000 | 100,000 | ||||
| k29 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | ||||
| k30 (s−1) | 10, 100, 316.2, 1,000, 100,000, 1,000,000 | 1,000 | 1,000 | 100,000 | ||||
| . | Independent and combined effects of alternating-access rates and substrate off-rates on transport outcome . | Simulating the 10-state model . | Understanding the effects of ΔpH on Transport in the 8- and 10-state models . | Understanding how drug-induced rate constants may drive antiport vs. symport . | ||||
|---|---|---|---|---|---|---|---|---|
| Parameter (Unit) . | Fig. 7 A . | Fig. 7 B . | Fig. 7 C . | Fig. 8 . | Fig. 9 (8-state) . | Fig. 9 (10-state) . | Fig. 10 A . | Fig. 10 B . |
| k1 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 |
| k2 (s−1) | 1,000 | 1–1,000,000 | 1–1,000,000 | 1–1,000,000 | 63.1 | 63.1 | 63.1 | 1,000 |
| k3 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 |
| k4 (s−1) | 1,000 | 1–1,000,000 | 1–1,000,000 | 1–1,000,000 | 63.1 | 63.1 | 63.1 | 1,000 |
| k5 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 |
| k6 (s−1) | 1,000 | 1–1,000,000 | 1–1,000,000 | 1–1,000,000 | 1,584 | 1584 | 6.3 × 10−5–6.3 × 107a | 0.001–1 × 109* |
| k7 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 |
| k8 (s−1) | 1,000 | 0.01–10,000 | 0.01–10,000 | 0.01–10,000 | 1,584 | 1584 | 6.3 × 10−5–6.3 × 107a | 0.001–1 × 109* |
| k9 (M−1 s−1) | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 |
| k10 (s−1) | 1 | 0.01–10,000 | 0.01–10,000 | 0.01–10,000 | 0.631 | 0.631 | 0.01–10,000 | 0.01–10,000 |
| k11 (M−1 s−1) | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 |
| k12 (s−1) | 1 | 0.01–10,000 | 0.01–10,000 | 0.01–10,000 | 0.631 | 0.631 | 0.01–10,000 | 0.01–10,000 |
| k13 (M−1 s−1) | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 |
| k14 (s−1) | 1 | 0.01–10,000 | 0.01–10,000 | 0.01–10,000 | 10 | 10 | 0.01–10,000 | 0.01–10,000 |
| k15 (M−1 s−1) | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 | 1 × 107 |
| k16 (s−1) | 1 | 0.01–10,000 | 0.01–10,000 | 0.01–10,000 | 10 | 10 | 0.01–10,000 | 0.01–10,000 |
| k17 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 100 | 100 | 100 | 100 |
| k18 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 100 | 100 | 100 | 100 |
| k19 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 40 | 40 | 40 | 40 |
| k20 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 40 | 40 | 40 | 40 |
| k21 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 7.3 | 7.3 | 1–100 | 1–100 |
| k22 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 7.3 | 7.3 | 1–100 | 1–100 |
| k23 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 8.9 | 8.9 | 1–100 | 1–100 |
| k24 (s−1) | 1–100 | 1, 10, 100 | 1, 2, 3, 4, 5 | 1 | 8.9 | 8.9 | 1–100 | 1–100 |
| k25 (s−1) | 1 | 220 | 220 | 220 | ||||
| k26 (s−1) | 1 | 220 | 220 | 220 | ||||
| k27 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | ||||
| k28 (s−1) | 10, 100, 316.2, 1,000, 100,000, 1,000,000 | 1,000 | 1,000 | 100,000 | ||||
| k29 (M−1 s−1) | 1 × 1010 | 1 × 1010 | 1 × 1010 | 1 × 1010 | ||||
| k30 (s−1) | 10, 100, 316.2, 1,000, 100,000, 1,000,000 | 1,000 | 1,000 | 100,000 | ||||
This number is solved to complete the thermodynamic cycle. These pKa values range from 1 to 14.2.