chi_groups_for_atom

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氨基酸中所有原子在对应侧链转角编码中的索引,其中侧链扭转角编码见 chi_angles_atoms。 例如,('ARG', 'N'):[(0, 0)] 代表氨基酸 "ARG" 中"N"原子的编码索引为"ARG"的侧链转角编码的(0,0)位置。

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)]