Table 3.
CCG | TCG | |||||
Residue | VDW | Coulomb | H-bond | VDW | Coulomb | H-bond |
Asp 52 | 0.438 | −21.47 | — | 0.364 | −21.427 | −9.839 |
Leu 13 | −1.255 | −6.045 | 10.246 | −1.762 | −6.142 | −10.19 |
Tyr 15 | −2.173 | −7.773 | −9.898 | −3.282 | −6.162 | −0.122 |
Trp 253 | −3.779 | −1.934 | −0.677 | −3.779 | −1.879 | 0.000 |
Ile 297 | −2.097 | −0.454 | 0.000 | −0.967 | −1.585 | 0.000 |
Pro 14 | −0.973 | −1.467 | 0.000 | −1.931 | −0.526 | 0.000 |
His 301 | −0.102 | −1.189 | 0.000 | −1.216 | −1.074 | 0.000 |
Pro 257 | −0.670 | −0.122 | 0.000 | −1.486 | −0.080 | 0.000 |
Ile 293 | −0.273 | −0.145 | 0.000 | −1.110 | −0.232 | 0.000 |
Tyr 260 | −0.227 | −0.116 | 0.000 | −1.780 | 0.706 | 0.000 |
Ala 256 | −0.941 | 0.616 | 0.000 | −1.414 | 0.601 | 0.000 |
Val 252 | −0.233 | −0.025 | 0.000 | −0.227 | −0.047 | 0.000 |
Ala 12 | −0.084 | 0.673 | 0.000 | −0.144 | 0.081 | 0.000 |
The energy values are in kilocalorie-per mole.