TABLE 1.
Potential types of the side-chain atoms for each amino acid starting from the Cβ atom outwards (top) and for the main chain and its termini
| Amino acid | Potential type |
|---|---|
| ALA | CME |
| VAL | 3 × CME |
| ILE | 4 × CME |
| LEU | 4 × CME |
| PHE | CME, 6 × CR |
| PRO | 3 × CME |
| MET | CME, CME, S, CME |
| ASP | CME, CP, O2, O2 |
| GLU | CME, CME, CP, O2, O2 |
| LYS | 3 × CME, CP, N3, 3 × H |
| ARG | 3 × CME, N1, H, CP, 2 × (N1, H, H) |
| SER | CP, O1, H |
| THR | CP, CME, O1, H |
| TYR | CME, 6 × CR, O1, H |
| HIS | CME, CR, N1, H, CR, CR, N1, H |
| CYS | CME, S |
| ASN | CME, CP, O2, N2, H, H |
| GLN | CME, CME, CP, O2, N2, H, H |
| TRP | CME, 3 × CR, N1, H, 5 × CR |
| Main chain | N1, HM, CME, CP, O1 |
| N-terminus | N3, H, H, H, CME, CP, O1 |
| C-terminus | N1, HM, CME, CP, O1, O2 |
The first letter designates the atom; suffixes differentiate potential types in their chemical environment. CME is the potential type for united-atom CHn groups; CR occurs in rings.