Supplementary material for Chong et al. (1999) Proc. Natl. Acad. Sci. USA 96 (25), 14330-14335.
Table 8.
Energetic analysis of the 48G7 mature antibody-hapten complex formation
| Antibody | Hapten | Complex |
| Complex formation | ||||
<Eelec> | - 12316.3 | (2.6) | 5.3 | (0.1) | - 12660.1 | (3.0) | < DEelec> | - 349.1 | (1.5) |
<Evdw> | - 1962.8 | (1.6) | 6.4 | (0.2) | - 1991.9 | (1.6) | < DEvdw> | - 35.5 | (0.4) |
<Eint> | 3668.4 | (2.7) | 25.4 | (0.4) | 3693.8 | (2.7) | < DEint> | 0.0 | (0.0) |
<EMM> | - 10610.6 | (3.4) | 37.0 | (0.4) | - 10958.2 | (3.7) | < DEMM> | - 384.6 | (1.4) |
G np | 109.8 | (0.1) | 3.4 | (0.1) | 109 | (0.0) | D Gnp | - 4.2 | (0.1) |
G PB | - 4559.9 | (1.9) | - 207.7 | (0.2) | - 4413.7 | (2.3) | D GPB | 354.0 | (1.2) |
G solv | - 4451.4 | (1.8) | - 204.2 | (0.2) | -4306.0 | (2.3) | D Gsolv | 349.6 | (1.2) |
G elec,tot | - 16876.2 | (1.8) | - 202.4 | (0.2) | - 17073.8 | (1.9) | D Gelec,tot | 4.9 | (0.5) |
G tot | - 15062.0 | (2.9) | - 167.2 | (0.4) | - 15264.1 | (2.8) | D Gtot | - 35.0 | (0.5) |
- TS | - 1086.1 |
| - 45.4 |
| - 1112.2 |
| - TDS | 19.3 |
|
G bind | - 16148.1 |
| - 212.6 |
| - 16376.3 |
| D Gbind | - 15.7 |
|
See Table 7 legend.