data_1wct_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1wct _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.42 ' CA ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER 78.44 -84.14 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.314 1.045 . . . . 0.0 112.878 175.325 -128.092 -103.906 54.125 103.884 2.041 103.927 140.89 -143.261 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.26 -24.18 65.77 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.305 -0.872 . . . . 0.0 112.513 -179.049 -98.631 -95.181 128.341 104.991 2.036 104.878 32.544 -90.923 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.42 ' HB2' ' CA ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -62.97 -11.79 21.16 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.873 0.869 . . . . 0.0 113.056 164.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.06 -11.13 63.52 Favored Glycine 0 CA--C 1.566 3.279 0 O-C-N 121.039 -1.038 . . . . 0.0 114.951 168.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' BTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.32 -42.56 0.46 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.054 -1.029 . . . . 0.0 112.996 -173.741 -143.261 140.89 54.125 103.927 2.041 103.884 -103.906 -128.092 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.571 1.773 0 O-C-N 121.283 -0.886 . . . . 0.0 112.949 -174.918 -90.923 32.544 128.341 104.878 2.036 104.991 -95.181 -98.631 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GTH . . . . . 0.442 ' H61' ' H3 ' ' A' ' 10' ' ' GTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.45 -81.28 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.985 -1.072 . . . . 0.0 112.882 164.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 36.18 76.17 0.05 Allowed 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 124.288 1.035 . . . . 0.0 112.895 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER 78.44 -84.14 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.314 1.045 . . . . 0.0 112.878 175.325 -128.092 -103.906 54.125 103.884 2.041 103.927 140.89 -143.261 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.26 -24.18 65.77 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.305 -0.872 . . . . 0.0 112.513 -179.049 -98.631 -95.181 128.341 104.991 2.036 104.878 32.544 -90.923 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.404 ' HB2' ' CA ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -62.97 -11.79 21.16 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.873 0.869 . . . . 0.0 113.056 164.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.06 -11.13 63.52 Favored Glycine 0 CA--C 1.566 3.279 0 O-C-N 121.039 -1.038 . . . . 0.0 114.951 168.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' BTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.32 -42.56 0.46 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.054 -1.029 . . . . 0.0 112.996 -173.741 -143.261 140.89 54.125 103.927 2.041 103.884 -103.906 -128.092 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.571 1.773 0 O-C-N 121.283 -0.886 . . . . 0.0 112.949 -174.918 -90.923 32.544 128.341 104.878 2.036 104.991 -95.181 -98.631 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GTH . . . . . 0.447 ' H62' ' H3 ' ' A' ' 10' ' ' GTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.45 -81.28 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.985 -1.072 . . . . 0.0 112.882 164.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 36.18 76.17 0.05 Allowed 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 124.288 1.035 . . . . 0.0 112.895 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER 78.44 -84.14 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.314 1.045 . . . . 0.0 112.878 175.325 -128.092 -103.906 54.125 103.884 2.041 103.927 140.89 -143.261 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.26 -24.18 65.77 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.305 -0.872 . . . . 0.0 112.513 -179.049 -98.631 -95.181 128.341 104.991 2.036 104.878 32.544 -90.923 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.404 ' HB2' ' CA ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -62.97 -11.79 21.16 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.873 0.869 . . . . 0.0 113.056 164.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.06 -11.13 63.52 Favored Glycine 0 CA--C 1.566 3.279 0 O-C-N 121.039 -1.038 . . . . 0.0 114.951 168.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' BTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.32 -42.56 0.46 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.054 -1.029 . . . . 0.0 112.996 -173.741 -143.261 140.89 54.125 103.927 2.041 103.884 -103.906 -128.092 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.571 1.773 0 O-C-N 121.283 -0.886 . . . . 0.0 112.949 -174.918 -90.923 32.544 128.341 104.878 2.036 104.991 -95.181 -98.631 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GTH . . . . . 0.447 ' H3 ' ' H62' ' A' ' 10' ' ' GTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.45 -81.28 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.985 -1.072 . . . . 0.0 112.882 164.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 36.18 76.17 0.05 Allowed 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 124.288 1.035 . . . . 0.0 112.895 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_