Closed anton-bushuiev closed 1 year ago
The following files in project/datasets/DIPS/final/raw contain capital letters in residue column values which should be integer. Is it intensional? This list may not be comprehensive.
project/datasets/DIPS/final/raw
residue
{‘hy/3hye.pdb1_7', 'bd/3bdm.pdb1_12', 'bd/3bdm.pdb1_52', 'mg/3mg6.pdb1_62', 'hy/3hye.pdb1_17', 'fa/2fak.pdb1_91', 'g0/1g0u.pdb1_3', 'g0/1g0u.pdb1_41', 'hy/3hye.pdb1_57', 'fa/2fak.pdb1_84', 'bd/3bdm.pdb1_33', 'mg/3mg6.pdb1_76', 'mg/3mg8.pdb1_2', 'lq/4lqi.pdb1_54', 'mg/3mg6.pdb1_72', 'pz/1pzh.pdb1_2', 'mg/3mg7.pdb1_57', 'mg/3mg8.pdb1_22', 'mg/3mg7.pdb1_78', 'ok/3okj.pdb1_28', 'bd/3bdm.pdb1_30', 'ok/3okj.pdb1_62', 'j2/1j2q.pdb1_25', 'e4/3e47.pdb1_87', 'nz/3nzj.pdb1_40', 'ls/1ls3.pdb1_0', 'zz/3zzn.pdb1_3', 'mg/3mg7.pdb1_41', 'ls/1ls3.pdb1_5', 'lq/4lqi.pdb1_16', 'gp/3gpw.pdb1_27', 'bd/3bdm.pdb1_57', 'hy/3hye.pdb1_56', 'gp/3gpw.pdb1_83', 'bd/3bdm.pdb1_69', 'g0/1g0u.pdb1_26', 'nz/3nzj.pdb1_66', 'gp/3gpw.pdb1_77', 'ok/3okj.pdb1_18', 'e4/3e47.pdb1_20', 'lq/4lqi.pdb1_90', 'gp/3gpw.pdb1_89', 'gp/3gpw.pdb1_80', 'ok/3okj.pdb1_4', 'gp/3gpw.pdb1_58', 'hy/3hye.pdb1_18', 'nz/3nzj.pdb1_22', 'fa/2fak.pdb1_30', 'mg/3mg7.pdb1_18', 'j2/1j2q.pdb1_23', 'gp/3gpw.pdb1_87', 'nz/3nzj.pdb1_82', 'hy/3hye.pdb1_58', 'bd/3bdm.pdb1_86', 'e4/3e47.pdb1_8', 'e4/3e47.pdb1_83', 'fa/2fak.pdb1_77', 'zc/2zcy.pdb1_80', 'mg/3mg7.pdb1_69', 'ld/5ldh.pdb1_0', 'bd/3bdm.pdb1_70', 'j2/1j2q.pdb1_15', 'mg/3mg7.pdb1_6', 'g0/1g0u.pdb1_66', 'zc/2zcy.pdb1_38', 'mg/3mg6.pdb1_19', 'zc/2zcy.pdb1_28', 'fa/2fak.pdb1_56', 'bd/3bdm.pdb1_5', 'e4/3e47.pdb1_17', 'nz/3nzj.pdb1_49', 'mg/3mg8.pdb1_69', 'mg/3mg6.pdb1_32', 'bd/3bdm.pdb1_31', 'e4/3e47.pdb1_69', 'mg/3mg8.pdb1_4', 'hy/3hye.pdb1_68', 'j2/1j2q.pdb1_12', 'fn/3fns.pdb1_0', 'hy/3hye.pdb1_19', 'zc/2zcy.pdb1_31', 'bd/3bdm.pdb1_84', 'ez/4ezf.pdb1_0', 'gp/3gpw.pdb1_91', 'hy/3hye.pdb1_84', 'v7/2v7p.pdb1_3', 'fa/2fak.pdb1_20', 'mg/3mg8.pdb1_52', 'f3/3f3f.pdb1_6', 'zc/2zcy.pdb1_81', 'mg/3mg8.pdb1_63', 'e4/3e47.pdb1_6', 'fa/2fak.pdb1_31', 'hy/3hye.pdb1_37', 'mg/3mg7.pdb1_3', 'mg/3mg6.pdb1_6', 'mg/3mg8.pdb1_28', 'hy/3hye.pdb1_8', 'mg/3mg7.pdb1_53', 'e4/3e47.pdb1_38', 'j5/2j5q.pdb1_3', 'hy/3hye.pdb1_38', 'mg/3mg6.pdb1_78', 'zc/2zcy.pdb1_57', 'mg/3mg7.pdb1_32', 'mg/3mg6.pdb1_29', 'fa/2fak.pdb1_80', 'hy/3hye.pdb1_6', 'mg/3mg6.pdb1_40', 'lq/4lqi.pdb1_8', 'j8/4j8u.pdb1_4', 'ok/3okj.pdb1_38', 'fa/2fak.pdb1_48', 'g0/1g0u.pdb1_59', 'gp/3gpw.pdb1_57', 'e4/3e47.pdb1_70', 'gp/3gpw.pdb1_7', 'g0/1g0u.pdb1_58', 'zc/2zcy.pdb1_7', 'mg/3mg6.pdb1_8', 'nz/3nzj.pdb1_42', 'e4/3e47.pdb1_81', 'e4/3e47.pdb1_48', 'e4/3e47.pdb1_78', 'fa/2fak.pdb1_34', 'e4/3e47.pdb1_91', 'mg/3mg8.pdb1_75', 'bd/3bdm.pdb1_77', 'mg/3mg8.pdb1_47', 'ok/3okj.pdb1_83', 'qx/2qx1.pdb1_0', 'bd/3bdm.pdb1_62', 'mg/3mg8.pdb1_40', 'mg/3mg7.pdb1_52', 'dl/1dle.pdb1_0', 'mg/3mg6.pdb1_12', 'e4/3e47.pdb1_36', 'ok/3okj.pdb1_56', 'zc/2zcy.pdb1_17', 'k3/4k3y.pdb1_3', 'lq/4lqi.pdb1_53', 'mg/3mg7.pdb1_74', 'qn/2qnz.pdb1_0', 'zc/2zcy.pdb1_86', 'gp/3gpw.pdb1_4', 'mg/3mg7.pdb1_17', 'lq/4lqi.pdb1_28', 'g0/1g0u.pdb1_5', 'e4/3e47.pdb1_37', 's0/4s0t.pdb2_0', 'fa/2fak.pdb1_12', 'e4/3e47.pdb1_7', 'g0/1g0u.pdb1_45', 'ok/3okj.pdb1_78', 'k3/4k3y.pdb1_4', 'fa/2fak.pdb1_58', 'rl/4rld.pdb6_0', 'mg/3mg6.pdb1_23', 'nz/3nzj.pdb1_65', 'ok/3okj.pdb1_5', 'nz/3nzj.pdb1_93', 'lq/4lqi.pdb1_63', 'mg/3mg6.pdb1_16', 'fa/2fak.pdb1_4', 'g0/1g0u.pdb1_77', 'zc/2zcy.pdb1_91', 's0/4s0t.pdb1_2', 'nz/3nzj.pdb1_3', 'e4/3e47.pdb1_52', 'mg/3mg7.pdb1_62', 'nz/3nzj.pdb1_71', 'hy/3hye.pdb1_36', 'lq/4lqi.pdb1_5', 'lq/4lqi.pdb1_46', 'fa/2fak.pdb1_33', 'mg/3mg7.pdb1_51', 'bd/3bdm.pdb1_45', 'mg/3mg6.pdb1_17', 'mg/3mg6.pdb1_64', 'e4/3e47.pdb1_86', 'lq/4lqi.pdb1_52', 'mg/3mg6.pdb1_63', 'mg/3mg8.pdb1_64', 'jd/1jd0.pdb1_0', 'fa/2fak.pdb1_67', 'gp/3gpw.pdb1_70', 'mg/3mg8.pdb1_29', 'hy/3hye.pdb1_28', 'gp/3gpw.pdb1_18', 'lq/4lqi.pdb1_26', 'li/1lia.pdb3_3', 'mg/3mg6.pdb1_18', 'mg/3mg7.pdb1_71', 'zc/2zcy.pdb1_70', 'mg/3mg6.pdb1_5', 'nz/3nzj.pdb1_84', 'ok/3okj.pdb1_30', 'mg/3mg8.pdb1_53', 'mg/3mg7.pdb1_68', 'bd/3bdm.pdb1_36', 'fa/2fak.pdb1_52', 'mg/3mg8.pdb1_34', 'g0/1g0u.pdb1_30', 'bd/3bdm.pdb1_4', 'lq/4lqi.pdb1_7', 'v7/2v7p.pdb1_2', 'mg/3mg8.pdb1_35', 'mg/3mg8.pdb1_12', 'zc/2zcy.pdb1_58', 'fa/2fak.pdb1_57', 'pz/1pzh.pdb1_0', 'fa/2fak.pdb1_17', 'bd/3bdm.pdb1_7', 'gp/3gpw.pdb1_8', 'mg/3mg8.pdb1_65', 'mg/3mg6.pdb1_82', 'gp/3gpw.pdb1_36', 'bd/3bdm.pdb1_3', 'ok/3okj.pdb1_84', 'nz/3nzj.pdb1_31', 'mg/3mg6.pdb1_3', 'e4/3e47.pdb1_68', 'zc/2zcy.pdb1_68', 'mg/3mg8.pdb1_18', 'g0/1g0u.pdb1_21', 'e4/3e47.pdb1_5', 'lq/4lqi.pdb1_0', 'ok/3okj.pdb1_20', 'ok/3okj.pdb1_12', 'mg/3mg7.pdb1_77', 'pz/1pzh.pdb1_1', 'hy/3hye.pdb1_91', 'lq/4lqi.pdb1_25', 'g0/1g0u.pdb1_7', 'e4/3e47.pdb1_27', 'g0/1g0u.pdb1_70', 'hy/3hye.pdb1_62', 'ok/3okj.pdb1_80', 'ok/3okj.pdb1_77', 'zc/2zcy.pdb1_4', 'hy/3hye.pdb1_40', 'e4/3e47.pdb1_18', 'nz/3nzj.pdb1_52', 'lq/4lqi.pdb1_55', 'lq/4lqi.pdb1_18', 'nz/3nzj.pdb1_88', 'bd/3bdm.pdb1_20', 'nz/3nzj.pdb1_74', 'g0/1g0u.pdb1_27', 'ok/3okj.pdb1_33', 'mg/3mg7.pdb1_82', 'nz/3nzj.pdb1_35', 'lq/4lqi.pdb1_60', 'fa/2fak.pdb1_69', 'mg/3mg6.pdb1_31', 'hy/3hye.pdb1_81', 'lq/4lqi.pdb1_81', 'gp/3gpw.pdb1_34', 'lq/4lqi.pdb1_83', 'hy/3hye.pdb1_33', 'g0/1g0u.pdb1_49', 'bd/3bdm.pdb1_19', 'lq/4lqi.pdb1_15', 'g0/1g0u.pdb1_57', 'mg/3mg7.pdb1_34', 'e4/3e47.pdb1_34', 'e4/3e47.pdb1_80', 'bd/3bdm.pdb1_27', 'ok/3okj.pdb1_48', 'gp/3gpw.pdb1_62', 'mg/3mg6.pdb1_51', 'gp/3gpw.pdb1_67', 'hy/3hye.pdb1_89', 'zc/2zcy.pdb1_83', 'g0/1g0u.pdb1_29', 'bd/3bdm.pdb1_80', 'nz/3nzj.pdb1_32', 'mg/3mg8.pdb1_78', 'zc/2zcy.pdb1_27', 'ok/3okj.pdb1_40', 'mg/3mg8.pdb1_25', 'hy/3hye.pdb1_4', 'mg/3mg6.pdb1_34', 'mg/3mg7.pdb1_4', 'gp/3gpw.pdb1_84', 'g0/1g0u.pdb1_23', 'bd/3bdm.pdb1_81', 'bd/3bdm.pdb1_17', 'e4/3e47.pdb1_67', 'e4/3e47.pdb1_46', 'g0/1g0u.pdb1_54', 'hy/3hye.pdb1_31', 'e4/3e47.pdb1_45', 'lq/4lqi.pdb1_70', 'g0/1g0u.pdb1_6', 'ok/3okj.pdb1_31', 'g0/1g0u.pdb1_38', 'mg/3mg8.pdb1_33', 'hy/3hye.pdb1_67', 'zc/2zcy.pdb1_62', 'fa/2fak.pdb1_62', 'fa/2fak.pdb1_18', 'zc/2zcy.pdb1_36', 'nz/3nzj.pdb1_24', 'zc/2zcy.pdb1_6', 'fa/2fak.pdb1_68', 'bd/3bdm.pdb1_48', 'fa/2fak.pdb1_45', 'g0/1g0u.pdb1_16', 'fa/2fak.pdb1_40', 'j2/1j2q.pdb1_24', 'e4/3e47.pdb1_77', 'gp/3gpw.pdb1_3', 'mg/3mg7.pdb1_80', 'zc/2zcy.pdb1_77', 'mg/3mg6.pdb1_7', 'mg/3mg7.pdb1_64', 'mg/3mg8.pdb1_41', 'mg/3mg7.pdb1_16', 'mg/3mg8.pdb1_5', 'bd/3bdm.pdb1_78', 'mg/3mg8.pdb1_74', 'gp/3gpw.pdb1_30', 'bd/3bdm.pdb1_67', 'mg/3mg7.pdb1_5', 'mg/3mg7.pdb1_29', 'mg/3mg8.pdb1_31', 'mg/3mg8.pdb1_26', 'bd/3bdm.pdb1_8', 'mg/3mg7.pdb1_26', 'g0/1g0u.pdb1_63', 'gp/3gpw.pdb1_17', 'nz/3nzj.pdb1_34', 'zc/2zcy.pdb1_33', 'fa/2fak.pdb1_83', 'bd/3bdm.pdb1_40', 'g0/1g0u.pdb1_51', 'zc/2zcy.pdb1_30', 'e4/3e47.pdb1_40', 'gp/3gpw.pdb1_52', 'mg/3mg8.pdb1_3', 'g0/1g0u.pdb1_33', 'e4/3e47.pdb1_56', 'hy/3hye.pdb1_27', 'mg/3mg8.pdb1_6', 'mg/3mg7.pdb1_63', 'j2/1j2q.pdb1_21', 'fa/2fak.pdb1_27', 'lq/4lqi.pdb1_24', 'gp/3gpw.pdb1_48', 'ok/3okj.pdb1_37', 'gp/3gpw.pdb1_12', 'e7/1e7n.pdb1_0', 'mg/3mg7.pdb1_12', 'ok/3okj.pdb1_58', 'hy/3hye.pdb1_52', 'mg/3mg8.pdb1_7', 'nd/4nd5.pdb2_0', 'nz/3nzj.pdb1_37', 'bd/3bdm.pdb1_34', 'mg/3mg8.pdb1_57', 'qn/3qnk.pdb1_0', 'bd/3bdm.pdb1_46', 'ok/3okj.pdb1_7', 'mg/3mg6.pdb1_26', 'k3/4k3y.pdb1_0', 'e4/3e47.pdb1_3', 'lq/4lqi.pdb1_74', 'ok/3okj.pdb1_45', 'pz/1pzh.pdb1_5', 'lq/4lqi.pdb1_21', 'gp/3gpw.pdb1_46', 'mg/3mg7.pdb1_75', 'nz/3nzj.pdb1_16', 'bd/3bdm.pdb1_89', 'lq/4lqi.pdb1_76', 'k3/4k3y.pdb1_1', 'hh/4hhm.pdb2_0', 'j2/1j2q.pdb1_27', 'zc/2zcy.pdb1_20', 'lq/4lqi.pdb1_19', 'zc/2zcy.pdb1_56', 'mg/3mg7.pdb1_7', 'mg/3mg7.pdb1_22', 'zc/2zcy.pdb1_8', 'nz/3nzj.pdb1_7', 'bd/3bdm.pdb1_18', 'fa/2fak.pdb1_36', 'mg/3mg8.pdb1_19', 'fa/2fak.pdb1_81', 'hy/3hye.pdb1_45', 'gp/3gpw.pdb1_6', 'g0/1g0u.pdb1_72', 'bd/3bdm.pdb1_87', 'nz/3nzj.pdb1_8', 'nz/3nzj.pdb1_5', 'mg/3mg6.pdb1_65', 'zc/2zcy.pdb1_69', 'j5/2j5r.pdb1_2', 'fa/2fak.pdb1_19', 'mg/3mg6.pdb1_47', 'zc/2zcy.pdb1_84', 'nz/3nzj.pdb1_85', 'ok/3okj.pdb1_52', 'e4/3e47.pdb1_57', 'bd/3bdm.pdb1_58', 'mg/3mg7.pdb1_40', 'nz/3nzj.pdb1_50', 'fn/2fn7.pdb2_0', 'cg/5cgi.pdb1_57', 'hy/3hye.pdb1_87', 'g0/1g0u.pdb1_39', 'bd/3bdm.pdb1_91', 'e4/3e47.pdb1_33', 'ok/3okj.pdb1_27', 'lq/4lqi.pdb1_36', 'fa/2fak.pdb1_86', 'nz/3nzj.pdb1_4', 'mg/3mg6.pdb1_43', 'gp/3gpw.pdb1_78', 'hy/3hye.pdb1_3', 'bd/3bdm.pdb1_38', 'nd/4nd5.pdb1_0', 'lq/4lqi.pdb1_79', 'gp/3gpw.pdb1_81', 'lq/4lqi.pdb1_22', 'hy/3hye.pdb1_83', 'mg/3mg7.pdb1_31', 'g0/1g0u.pdb1_15', 'mg/3mg8.pdb1_72', 'g0/1g0u.pdb1_8', 'li/1lia.pdb3_2', 'gp/3gpw.pdb1_40', 'gp/3gpw.pdb1_56', 'g0/1g0u.pdb1_12', 'mg/3mg8.pdb1_16', 'j2/1j2q.pdb1_18', 'zc/2zcy.pdb1_48', 'gp/3gpw.pdb1_68', 'mg/3mg8.pdb1_76', 'fa/2fak.pdb1_78', 'gp/3gpw.pdb1_33', 'mg/3mg8.pdb1_32', 'mg/3mg8.pdb1_82', 'zc/2zcy.pdb1_18', 'mg/3mg6.pdb1_75', 'ok/3okj.pdb1_89', 'nz/3nzj.pdb1_91', 'gp/3gpw.pdb1_20', 'mg/3mg6.pdb1_53', 'hy/3hye.pdb1_48', 'nz/3nzj.pdb1_95', 'nz/3nzj.pdb1_90', 'mg/3mg7.pdb1_47', 'j2/1j2q.pdb1_22', 'nz/3nzj.pdb1_72', 'hy/3hye.pdb1_80', 'g0/1g0u.pdb1_73', 'e4/3e47.pdb1_4', 'nz/3nzj.pdb1_81', 'g0/1g0u.pdb1_55', 'mg/3mg7.pdb1_2', 'e4/3e47.pdb1_58', 'lq/4lqi.pdb1_6', 'mg/3mg8.pdb1_8', 'lq/4lqi.pdb1_62', 'lq/4lqi.pdb1_87', 'wh/1wht.pdb1_0', 'fh/2fhx.pdb3_0', 'e4/3e47.pdb1_84', 'mg/3mg8.pdb1_77', 'gp/3gpw.pdb1_37', 'lq/4lqi.pdb1_80', 'zc/2zcy.pdb1_78', 'fa/2fak.pdb1_3', 'ls/1ls3.pdb1_1', 'hy/3hye.pdb1_69', 'nz/3nzj.pdb1_87', 'nz/3nzj.pdb1_21', 'f3/3f3f.pdb1_3', 'fa/2fak.pdb1_87', 'ok/3okj.pdb1_36', 'mg/3mg7.pdb1_72', 'hy/3hye.pdb1_70', 'bd/3bdm.pdb1_56', 'gp/3gpw.pdb1_5', 'mg/3mg7.pdb1_28', 'gp/3gpw.pdb1_45', 'ok/3okj.pdb1_69', 'mg/3mg7.pdb1_35', 'ok/3okj.pdb1_91', 'mg/3mg8.pdb1_68', 'ok/3okj.pdb1_46', 'nz/3nzj.pdb1_61', 'mg/3mg8.pdb1_51', 'fa/2fak.pdb1_89', 'mg/3mg6.pdb1_33', 'g0/1g0u.pdb1_14', 'mg/3mg7.pdb1_43', 'g0/1g0u.pdb1_69', 'mg/3mg6.pdb1_4', 'e4/3e47.pdb1_30', 'fa/2fak.pdb1_46', 'j2/1j2q.pdb1_6', 'nz/3nzj.pdb1_44', 'nz/3nzj.pdb1_2', 'nz/3nzj.pdb1_60', 'hy/3hye.pdb1_78', 'j5/2j5r.pdb1_3', 'mg/3mg6.pdb1_68', 'hy/3hye.pdb1_20', 'e4/3e47.pdb1_31', 'mg/3mg7.pdb1_33', 's0/4s0t.pdb1_1', 'g0/1g0u.pdb1_50', 'zc/2zcy.pdb1_5', 'nz/3nzj.pdb1_73', 'mg/3mg6.pdb1_71', 'f3/3f3f.pdb1_0', 'mg/3mg6.pdb1_2’}
These are insertion codes: https://bioinformatics.stackexchange.com/questions/11587/what-is-the-aim-of-insertion-codes-in-the-pdb-file-format/11590#11590
anton-bushuiev
commented
1 year ago
The following files in
project/datasets/DIPS/final/rawcontain capital letters inresiduecolumn values which should be integer. Is it intensional? This list may not be comprehensive.