restype_name_to_atom14_names ============================ 每个氨基酸所包含的原子类型,当不足14种时使用空类型"''"来补足。实际包含的原子类型与 `residue_atoms` 相同。 +-----+-------------------------------------------------------------------------------------------+ | key | value | +=====+===========================================================================================+ | ALA | ['N', 'CA', 'C', 'O', 'CB', '', '', '', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | ARG | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD', 'NE', 'CZ', 'NH1', 'NH2', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | ASN | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'OD1', 'ND2', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | ASP | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'OD1', 'OD2', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | CYS | ['N', 'CA', 'C', 'O', 'CB', 'SG', '', '', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | GLN | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD', 'OE1', 'NE2', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | GLU | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD', 'OE1', 'OE2', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | GLY | ['N', 'CA', 'C', 'O', '', '', '', '', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | HIS | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'ND1', 'CD2', 'CE1', 'NE2', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | ILE | ['N', 'CA', 'C', 'O', 'CB', 'CG1', 'CG2', 'CD1', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | LEU | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD1', 'CD2', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | LYS | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD', 'CE', 'NZ', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | MET | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD', 'CE', 'NZ', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | PHE | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD1', 'CD2', 'CE1', 'CE2', 'CZ', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | PRO | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD', '', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | SER | ['N', 'CA', 'C', 'O', 'CB', 'OG', '', '', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | THR | ['N', 'CA', 'C', 'O', 'CB', 'OG', '', '', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | TRP | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD1', 'CD2', 'NE1', 'CE2', 'CE3', 'CZ2', 'CZ3', 'CH2'] | +-----+-------------------------------------------------------------------------------------------+ | TYR | ['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD1', 'CD2', 'CE1', 'CE2', 'CZ', 'OH', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | VAL | ['N', 'CA', 'C', 'O', 'CB', 'CG1', 'CG2', '', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+ | UNK | ['', '', '', '', '', '', '', '', '', '', '', '', '', ''] | +-----+-------------------------------------------------------------------------------------------+