chi_groups_for_atom
Indexes of all atoms in amino acids in the corresponding side chain torsion angle encoding, where the side chain torsion angle encodings are shown in 'chi_angles_atoms'.
For example, ('ARG', 'N'):[(0, 0)] represents the encoding index of "N" atom in amino acid "ARG" is the (0, 0) position of side chain torsion angle encoding of "ARG".
key |
value |
|---|---|
('ARG', 'N') |
[(0, 0)] |
('ARG', 'CA') |
[(0, 1), (1, 0)] |
('ARG', 'CB') |
[(0, 2), (1, 1), (2, 0)] |
('ARG', 'CG') |
[(0, 3), (1, 2), (2, 1), (3, 0)] |
('ARG', 'CD') |
[(1, 3), (2, 2), (3, 1)] |
('ARG', 'NE') |
[(2, 3), (3, 2)] |
('ARG', 'CZ') |
[(3, 3)] |
('ASN', 'N') |
[(0, 0)] |
('ASN', 'CA') |
[(0, 1), (1, 0)] |
('ASN', 'CB') |
[(0, 2), (1, 1)] |
('ASN', 'CG') |
[(0, 3), (1, 2)] |
('ASN', 'OD1') |
[(1, 3)] |
('ASP', 'N') |
[(0, 0)] |
('ASP', 'CA') |
[(0, 1), (1, 0)] |
('ASP', 'CB') |
[(0, 2), (1, 1)] |
('ASP', 'CG') |
[(0, 3), (1, 2)] |
('ASP', 'OD1') |
[(1, 3)] |
('CYS', 'N') |
[(0, 0)] |
('CYS', 'CA') |
[(0, 1)] |
('CYS', 'CB') |
[(0, 2)] |
('CYS', 'SG') |
[(0, 3)] |
('GLN', 'N') |
[(0, 0)] |
('GLN', 'CA') |
[(0, 1), (1, 0)] |
('GLN', 'CB') |
[(0, 2), (1, 1), (2, 0)] |
('GLN', 'CG') |
[(0, 3), (1, 2), (2, 1)] |
('GLN', 'CD') |
[(1, 3), (2, 2)] |
('GLN', 'OE1') |
[(2, 3)] |
('GLU', 'N') |
[(0, 0)] |
('GLU', 'CA') |
[(0, 1), (1, 0)] |
('GLU', 'CB') |
[(0, 2), (1, 1), (2, 0)] |
('GLU', 'CG') |
[(0, 3), (1, 2), (2, 1)] |
('GLU', 'CD') |
[(1, 3), (2, 2)] |
('GLU', 'OE1') |
[(2, 3)] |
('HIS', 'N') |
[(0, 0)] |
('HIS', 'CA') |
[(0, 1), (1, 0)] |
('HIS', 'CB') |
[(0, 2), (1, 1)] |
('HIS', 'CG') |
[(0, 3), (1, 2)] |
('HIS', 'ND1') |
[(1, 3)] |
('ILE', 'N') |
[(0, 0)] |
('ILE', 'CA') |
[(0, 1), (1, 0)] |
('ILE', 'CB') |
[(0, 2), (1, 1)] |
('ILE', 'CG1') |
[(0, 3), (1, 2)] |
('ILE', 'CD1') |
[(1, 3)] |
('LEU', 'N') |
[(0, 0)] |
('LEU', 'CA') |
[(0, 1), (1, 0)] |
('LEU', 'CB') |
[(0, 2), (1, 1)] |
('LEU', 'CG') |
[(0, 3), (1, 2)] |
('LEU', 'CD1') |
[(1, 3)] |
('LYS', 'N') |
[(0, 0)] |
('LYS', 'CA') |
[(0, 1), (1, 0)] |
('LYS', 'CB') |
[(0, 2), (1, 1), (2, 0)] |
('LYS', 'CG') |
[(0, 3), (1, 2), (2, 1), (3, 0)] |
('LYS', 'CD') |
[(1, 3), (2, 2), (3, 1)] |
('LYS', 'CE') |
[(2, 3), (3, 2)] |
('LYS', 'NZ') |
[(3, 3)] |
('MET', 'N') |
[(0, 0)] |
('MET', 'CA') |
[(0, 1), (1, 0)] |
('MET', 'CB') |
[(0, 2), (1, 1), (2, 0)] |
('MET', 'CG') |
[(0, 3), (1, 2), (2, 1)] |
('MET', 'SD') |
[(1, 3), (2, 2)] |
('MET', 'CE') |
[(2, 3)] |
('PHE', 'N') |
[(0, 0)] |
('PHE', 'CA') |
[(0, 1), (1, 0)] |
('PHE', 'CB') |
[(0, 2), (1, 1)] |
('PHE', 'CG') |
[(0, 3), (1, 2)] |
('PHE', 'CD1') |
[(1, 3)] |
('PRO', 'N') |
[(0, 0)] |
('PRO', 'CA') |
[(0, 1), (1, 0)] |
('PRO', 'CB') |
[(0, 2), (1, 1)] |
('PRO', 'CG') |
[(0, 3), (1, 2)] |
('PRO', 'CD') |
[(1, 3)] |
('SER', 'N') |
[(0, 0)] |
('SER', 'CA') |
[(0, 1)] |
('SER', 'CB') |
[(0, 2)] |
('SER', 'OG') |
[(0, 3)] |
('THR', 'N') |
[(0, 0)] |
('THR', 'CA') |
[(0, 1)] |
('THR', 'CB') |
[(0, 2)] |
('THR', 'OG1') |
[(0, 3)] |
('TRP', 'N') |
[(0, 0)] |
('TRP', 'CA') |
[(0, 1), (1, 0)] |
('TRP', 'CB') |
[(0, 2), (1, 1)] |
('TRP', 'CG') |
[(0, 3), (1, 2)] |
('TRP', 'CD1') |
[(1, 3)] |
('TYR', 'N') |
[(0, 0)] |
('TYR', 'CA') |
[(0, 1), (1, 0)] |
('TYR', 'CB') |
[(0, 2), (1, 1)] |
('TYR', 'CG') |
[(0, 3), (1, 2)] |
('TYR', 'CD1') |
[(1, 3)] |
('VAL', 'N') |
[(0, 0)] |
('VAL', 'CA') |
[(0, 1)] |
('VAL', 'CB') |
[(0, 2)] |
('VAL', 'CG1') |
[(0, 3)] |