chi_pi_periodic =============== 氨基酸中是否相应扭转角具有对称不变性,即对应扭转角旋转180度不影响整体三维结构。二维数组,第一维长度21,代表20种不同的氨基酸与未知氨 基酸(UNK表示),第二维长度为4,对应四种扭转角(chi1,chi2,chi3,chi4),当对应氨基酸中含有对称不变性原子时,该索引位置数值为1.0。 +-----------------------+-------------+ | value | amino_acid | +=======================+=============+ | [0.0, 0.0, 0.0, 0.0] | # ALA | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # ARG | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # ASN | +-----------------------+-------------+ | [0.0, 1.0, 0.0, 0.0] | # ASP | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # CYS | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # GLN | +-----------------------+-------------+ | [0.0, 0.0, 1.0, 0.0] | # GLU | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # GLY | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # HIS | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # ILE | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # LEU | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # LYS | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # MET | +-----------------------+-------------+ | [0.0, 1.0, 0.0, 0.0] | # PHE | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # PRO | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # SER | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # THR | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # TRP | +-----------------------+-------------+ | [0.0, 1.0, 0.0, 0.0] | # TYR | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # VAL | +-----------------------+-------------+ | [0.0, 0.0, 0.0, 0.0] | # UNK | +-----------------------+-------------+