Table 1.
Amino Acid | Evdw (kcal/mol) | EEle (kcal/mol) | ETotal (kcal/mol) |
---|---|---|---|
GLN129 | −0.81938 | −0.852713 | −1.67209 |
PRO163 | −0.203475 | −1.22109 | −1.42457 |
TYR164 | −2.94284 | −0.0409189 | −2.99076 |
ALA165 | −3.12668 | −4.24512 | −7.3718 |
TYR166 | −6.67669 | −8.68291 | −15.3596 |
ILE167 | −2.12323 | −10.4497 | −12.573 |
ARG168 | 0.935912 | −9.12259 | −8.18668 |
GLU169 | −5.83048 | −11.6427 | −17.4732 |
GLY170 | −0.808551 | −4.90689 | −5.71544 |
HIS171 | −0.323898 | −3.42 | −3.7439 |
GLU172 | −0.33641 | −4.03144 | −4.36789 |
GLN174 | −0.160664 | −4.29591 | −4.45656 |
ALA175 | −0.10965 | −2.10506 | −2.21471 |