Table 4.
ds ODN ID | Predicted | Calculated or measureda |
Predicted | ||||
---|---|---|---|---|---|---|---|
δG°b (kcal/mol/step) | ΔG° (kcal/mol) | ΔH° (kcal/mol) | ΔS° [cal/(mol × K)] | Tm (°C) | kcata (min−1) | Δkcatc (min−1) | |
ODN1 | −1.68 | −19.6 | −138.47 | 383 | 64.0 | 1.00 | 0.02 |
ODN2 | −1.71 | −18.4 | −113.59 | 307 | 66.7 | 1.40 | 0.06 |
ODN3 | −1.75 | −20.7 | −129.05 | 349 | 69.3 | 1.10 | −0.10 |
ODN4 | −1.72 | −21.2 | −139.77 | 382 | 67.9 | 0.90 | 0.07 |
ODN5 | −1.63 | −19.4 | −139.68 | 388 | 63.1 | 1.10 | −0.02 |
ODN6 | −1.88 | −20.7 | −121.12 | 324 | 71.8 | 1.20 | −0.23 |
ODN7 | −1.36 | −14.6 | −146.86 | 426 | 50.5 | 1.30 | −0.35 |
ODN8 | −1.23 | −11.6 | −108.02 | 311 | 46.0 | 0.96 | −0.47 |
ODN9 | −1.89 | −21.1 | −137.78 | 376 | 68.2 | 2.90 | 0.68 |
ODN10 | −1.50 | −16.7 | −136.68 | 387 | 56.7 | 1.00 | 0.44 |
ODN11 | −2.12 | −19.9 | −91.50 | 231 | 81.3 | 2.40 | −0.05 |
ODN12 | −1.61 | −17.9 | −123.44 | 340 | 62.5 | 1.20 | 0.00 |
ODN13 | −1.61 | −16.0 | −129.44 | 366 | 56.0 | 0.94 | −0.04 |
ODN14 | −1.23 | −7.6 | −106.92 | 320 | 34.2 | 1.30 | −0.13 |
ODN15 | −1.23 | −3.7 | −102.34 | 318 | 23.1 | 0.40 | −0.16 |
ODN16 | −1.36 | −2.2 | −101.60 | 320 | 18.9 | 0.48 | −0.08 |
ODN17 | −1.23 | −8.7 | −137.07 | 414 | 37.5 | 1.70 | 0.27 |
ODN18 | −1.68 | −16.8 | −120.95 | 336 | 59.9 | 0.80 | −0.18 |
ODN19 | −1.68 | −14.6 | −109.83 | 307 | 55.2 | 1.90 | 0.92 |
ODN20 | −1.68 | −18.6 | −140.74 | 394 | 61.0 | 1.40 | 0.57 |
ODN21 | −1.63 | −13.8 | −94.70 | 261 | 55.3 | 1.40 | 0.42 |
R | 0.813d | 0.027 | 0.270 | 0.880 | −0.517 | −0.282 | |
P | <10−5 | >0.9 | >0.2 | <10−6 | <0.025 | >0.2 |