data_1ixu_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 1ixu _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 120.348 0.118 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.06 142.16 52.73 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.727 0.811 . . . . 0.0 110.183 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -75.48 154.94 36.68 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.994 0.918 . . . . 0.0 110.523 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.0 ttt -118.42 47.52 1.6 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.083 1.353 . . . . 0.0 107.995 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -81.95 174.48 11.23 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.0 1.32 . . . . 0.0 110.545 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -108.0 134.06 20.26 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 126.289 1.836 . . . . 0.0 110.036 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -66.39 -37.68 1.5 Allowed 'Cis proline' 0 C--N 1.346 0.429 0 CA-C-N 119.513 0.862 . . . . 0.0 111.545 -11.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -148.19 170.45 17.81 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 128.013 2.525 . . . . 0.0 106.227 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.94 -28.56 68.39 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 m -148.02 26.02 1.0 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -65.38 1.02 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.32 0.964 . . . . 0.0 109.214 172.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.343 0.291 0 C-N-CA 124.98 1.312 . . . . 0.0 109.245 178.51 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 120.348 0.118 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.06 142.16 52.73 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.727 0.811 . . . . 0.0 110.183 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -75.48 154.94 36.68 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.994 0.918 . . . . 0.0 110.523 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.0 ttt -118.42 47.52 1.6 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.083 1.353 . . . . 0.0 107.995 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -81.95 174.48 11.23 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.0 1.32 . . . . 0.0 110.545 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -108.0 134.06 20.26 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 126.289 1.836 . . . . 0.0 110.036 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -66.39 -37.68 1.5 Allowed 'Cis proline' 0 C--N 1.346 0.429 0 CA-C-N 119.513 0.862 . . . . 0.0 111.545 -11.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -148.19 170.45 17.81 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 128.013 2.525 . . . . 0.0 106.227 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.94 -28.56 68.39 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 m -148.02 26.02 1.0 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -65.38 1.02 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.32 0.964 . . . . 0.0 109.214 172.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.343 0.291 0 C-N-CA 124.98 1.312 . . . . 0.0 109.245 178.51 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 120.348 0.118 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.06 142.16 52.73 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.727 0.811 . . . . 0.0 110.183 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -75.48 154.94 36.68 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.994 0.918 . . . . 0.0 110.523 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.0 ttt -118.42 47.52 1.6 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.083 1.353 . . . . 0.0 107.995 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -81.95 174.48 11.23 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.0 1.32 . . . . 0.0 110.545 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -108.0 134.06 20.26 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 126.289 1.836 . . . . 0.0 110.036 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -66.39 -37.68 1.5 Allowed 'Cis proline' 0 C--N 1.346 0.429 0 CA-C-N 119.513 0.862 . . . . 0.0 111.545 -11.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -148.19 170.45 17.81 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 128.013 2.525 . . . . 0.0 106.227 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.94 -28.56 68.39 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 m -148.02 26.02 1.0 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -65.38 1.02 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.32 0.964 . . . . 0.0 109.214 172.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.343 0.291 0 C-N-CA 124.98 1.312 . . . . 0.0 109.245 178.51 . . . . . . . . 0 0 . 1 stop_ save_