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Table 1 All 167 residue-specific heavy atom types and associated side-chain dihedral angles for defining their rotameric states

From: ROTAS: a rotamer-dependent, atomic statistical potential for assessment and prediction of protein structures

Amino acids Dihedrals Associated atoms Number of rotameric states
GLY - C, O, N, Cα 1
ALA - C, O, N, Cα, Cβ 1
CYS χ1 C, O, N, Cα, Cβ, Sγ 3
SER χ1 C, O, N, Cα, Cβ, Oγ 3
THR χ1 C, O, N, Cα, Cβ, Oγ1, Oγ2 3
PRO χ1 C, O, N, Cα, Cβ, Cγ, Cδ 3
VAL χ1 C, O, N, Cα, Cβ, Cγ1, Cγ2 3
ILE χ1, X2 C, O, N, Cα, Cβ, Cγ1, Cγ2, Cδ1 9
LEU χ1, X2 C, O, N, Cα, Cβ, Cγ, Cδ1, Cδ2 9
ASP χ1, X2 C, O, N, Cα, Cβ, Cγ, Oδ1, Oδ2 6
ASN χ1, X2 C, O, N, Cα, Cβ, Cγ, Oδ1, Nδ2 6
GLU χ1, X2 C, O, N, Cα, Cβ, Cγ 9
χ2, X3 Cδ, Oϵ1, Oϵ2 6
GLN χ1, X2 C, O, N, Cα, Cβ 9
χ2, X3 Cγ, Cδ, Oϵ1, Nϵ2 6
MET χ1, X2 C, O, N, Cα, Cβ 9
χ2, X3 Cγ, Sδ, Cϵ 9
ARG χ1, X2 C, O, N, Cα, Cβ 9
χ2, X3 Cγ 9
χ3, X4 Cδ, Nϵ, Cξ 9
χ4 Hη1, Hη2 3
LYS χ1, X2 C, O, N, Cα, Cβ 9
χ2, X3 Cγ 9
χ3, X4 Cδ, Cϵ, Nξ 9
HIS χ1, X2 C, O, N, Cα, Cβ, Cγ, Nδ1, Cδ2 6
χ2 Cϵ1, Nϵ2 2
PHE χ1 C, O, N, Cα, Cβ 3
χ1, X2 Cγ, Cδ1, Cδ2 6
X2 Cϵ1, Cϵ2, Cξ 2
TRP χ1, X2 C, O, N, Cα, Cβ, Cγ, Cδ1, Cδ2 6
χ2 Nϵ1, Cϵ2, Cϵ3, Cξ2, Cξ3, Cη2 2
TYR χ1 C, O, N, Cα, Cβ 3
χ1, X2 Cγ, Cδ1, Cδ2 6
χ2 Cϵ1, Cϵ2, Cξ, Oη 2