Table 1. Quantified rigid and flexible binding energy landscapes.
PDB | 1cop | 1lmb | 1lfb | 3mus | 1xso | |||||
Ind a | Eff | Ind | Eff | Ind | Eff | Ind | Eff | Ind | Eff | |
57.56 | 57.02 | 48.89 | 48.03 | 49.70 | 49.19 | 40.63 | 40.41 | 59.31 | 59.35 | |
11.01 | 5.37 | 9.92 | 5.77 | 8.09 | 4.89 | 7.00 | 5.58 | 8.74 | 7.57 | |
42.12 | 74.58 | 40.67 | 64.00 | 43.27 | 67.79 | 41.36 | 53.47 | 47.11 | 62.03 | |
1.95 | 0.97 | 1.59 | 0.92 | 1.62 | 0.98 | 1.39 | 0.97 | 1.66 | 1.21 | |
1.20 | 0.44 | 1.10 | 0.51 | 0.87 | 0.42 | 0.77 | 0.54 | 0.90 | 0.68 | |
1.62 | 2.20 | 1.45 | 1.80 | 1.86 | 2.33 | 1.80 | 1.79 | 1.84 | 1.78 | |
9.92 | 7.08 | 9.70 | 7.64 | 9.44 | 7.50 | 7.92 | 7.08 | 7.64 | 9.21 | |
0.56 | 0.86 | 0.54 | 0.73 | 0.66 | 0.86 | 0.63 | 0.69 | 0.69 | 0.70 | |
0.18 | 0.17 | 0.16 | 0.12 | 0.09 |
Energy is in reduced unit; Temperature is in energy unit.
“Ind” and “Eff” are the abbreviations for “Independent” and “Effective” binding, respectively.