Interaction energy of Trp enantiomers with PDA.
| E | ΔE | ||
|---|---|---|---|
| a.u. | a.u. | kcal mol−1 | |
| d-Trp | −686.1691323 | — | — |
| l-Trp | −686.1681162 | ||
| PDA | −2052.8655456 | ||
| d-Trp-PDA | −2739.85995182 | −0.82527392 | −517.8672249 |
| l-Trp-PDA | −2739.86050274 | −0.82684094 | −518.8505448 |
| E | ΔE | ||
|---|---|---|---|
| a.u. | a.u. | kcal mol−1 | |
| d-Trp | −686.1691323 | — | — |
| l-Trp | −686.1681162 | ||
| PDA | −2052.8655456 | ||
| d-Trp-PDA | −2739.85995182 | −0.82527392 | −517.8672249 |
| l-Trp-PDA | −2739.86050274 | −0.82684094 | −518.8505448 |