restype_atoms ============= 20种氨基酸对应原子种类。 +-------+---------------------------------------------------------------------------------------------+ | key | value | +=======+=============================================================================================+ | ALA | ['C', 'CA', 'CB', 'N', 'O'] | +-------+---------------------------------------------------------------------------------------------+ | ARG | ['C', 'CA', 'CB', 'CG', 'CD', 'CZ', 'N', 'NE', 'O', 'NH1', 'NH2'] | +-------+---------------------------------------------------------------------------------------------+ | ASP | ['C', 'CA', 'CB', 'CG', 'N', 'O', 'OD1', 'OD2'] | +-------+---------------------------------------------------------------------------------------------+ | ASN | ['C', 'CA', 'CB', 'CG', 'N', 'ND2', 'O', 'OD1'] | +-------+---------------------------------------------------------------------------------------------+ | CYS | ['C', 'CA', 'CB', 'N', 'O', 'SG'] | +-------+---------------------------------------------------------------------------------------------+ | GLU | ['C', 'CA', 'CB', 'CG', 'CD', 'N', 'O', 'OE1', 'OE2'] | +-------+---------------------------------------------------------------------------------------------+ | GLN | ['C', 'CA', 'CB', 'CG', 'CD', 'N', 'NE2', 'O', 'OE1'] | +-------+---------------------------------------------------------------------------------------------+ | GLY | ['C', 'CA', 'N', 'O'] | +-------+---------------------------------------------------------------------------------------------+ | HIS | ['C', 'CA', 'CB', 'CG', 'CD2', 'CE1', 'N', 'ND1', 'NE2', 'O'] | +-------+---------------------------------------------------------------------------------------------+ | ILE | ['C', 'CA', 'CB', 'CG1', 'CG2', 'CD1', 'N', 'O'] | +-------+---------------------------------------------------------------------------------------------+ | LEU | ['C', 'CA', 'CB', 'CG', 'CD1', 'CD2', 'N', 'O'] | +-------+---------------------------------------------------------------------------------------------+ | LYS | ['C', 'CA', 'CB', 'CG', 'CD', 'CE', 'N', 'NZ', 'O'] | +-------+---------------------------------------------------------------------------------------------+ | MET | ['C', 'CA', 'CB', 'CG', 'CE', 'N', 'O', 'SD'] | +-------+---------------------------------------------------------------------------------------------+ | PHE | ['C', 'CA', 'CB', 'CG', 'CD1', 'CD2', 'CE1', 'CE2', 'CZ', 'N', 'O'] | +-------+---------------------------------------------------------------------------------------------+ | PRO | ['C', 'CA', 'CB', 'CG', 'CD', 'N', 'O'] | +-------+---------------------------------------------------------------------------------------------+ | SER | ['C', 'CA', 'CB', 'N', 'O', 'OG'] | +-------+---------------------------------------------------------------------------------------------+ | THR | ['C', 'CA', 'CB', 'CG2', 'N', 'O', 'OG1'] | +-------+---------------------------------------------------------------------------------------------+ | TRP | ['C', 'CA', 'CB', 'CG', 'CD1', 'CD2', 'CE2', 'CE3', 'CZ2', 'CZ3', 'CH2', 'N', 'NE1', 'O'] | +-------+---------------------------------------------------------------------------------------------+ | TYR | ['C', 'CA', 'CB', 'CG', 'CD1', 'CD2', 'CE1', 'CE2', 'CZ', 'N', 'O', 'OH'] | +-------+---------------------------------------------------------------------------------------------+ | VAL | ['C', 'CA', 'CB', 'CG1', 'CG2', 'N', 'O'] | +-------+---------------------------------------------------------------------------------------------+