Table 2. Correlations between 1–4 Nonbonded Terms and All Other Nonbonded Terms in 628 Conformations of Many Dipeptide Systemsa.
dipeptide | Lennard–Jones | electrostatic |
---|---|---|
Ash | 0.34 | –0.67 |
Asn | 0.20 | –0.74 |
Asp | 0.30 | –0.96 |
Cys | –0.12 | –0.91 |
Hid | –0.37 | –0.77 |
Hie | –0.06 | –0.91 |
Hip | 0.12 | –0.37 |
Ile | 0.36 | –0.99 |
Leu | –0.19 | –0.99 |
Phe | 0.08 | –0.97 |
Ser | 0.40 | –0.94 |
Thr | 0.46 | –0.95 |
Trp | 0.12 | –0.88 |
Tyr | 0.10 | –0.95 |
Val | 0.53 | –0.98 |
Like Table 1, this table compares MM energies computed for each of two optimized variants of a dipeptide conformation.