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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