Table 1 Amino acids (and water) with their modeled degrees of freedom.
From: Fast automated placement of polar hydrogen atoms in protein-ligand complexes
Amino Acid | Degrees of Freedom | #Modes |
|---|---|---|
Asparagine | Flip state | 2 |
Aspartic Acid | Protonation | 3 |
Cysteine | Protonation, dihedral angle | 13 |
Glutamine | Flip state | 2 |
Glutamic Acid | Protonation | 3 |
Histidine | Flip state, protonation | 6 |
Lysine | Protonation, dihedral angle | 18 |
Serine | Dihedral angle | 12 |
Threonine | Dihedral angle | 12 |
Tyrosine | Dihedral angle | 12 |
Water | Both hydrogen atoms | 60 |