data_1niz_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 1niz _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 ' 5' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.5 ttmt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.792 0.33 . . . . 3.3900000000000001 110.463 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 8.6 mtm180 -154.18 115.28 4.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 5.2699999999999996 110.951 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.0 125.44 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 1.6599999999999999 110.994 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -140.72 127.33 20.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 3.2799999999999998 110.884 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mp -136.29 103.98 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 1.8400000000000001 111.161 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.25 -144.61 11.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.818 -0.706 . . . . 1.03 112.368 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HG2' ' HD3' ' A' ' 13' ' ' ARG . 56.0 Cg_endo -71.61 65.05 3.03 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.371 2.047 . . . . 1.0600000000000001 111.953 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.33 25.06 34.58 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.758 -0.734 . . . . 1.1699999999999999 111.883 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HD3' ' HG2' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -105.25 79.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.864 0.364 . . . . 3.5800000000000001 110.75 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.88 82.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.8600000000000001 111.09 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -106.55 45.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 2.6800000000000002 110.877 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.439 ' CE1' ' CG2' ' A' ' 18' ' ' THR . 14.2 t80 -89.89 112.79 24.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 2.3599999999999999 110.732 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.2 p -138.82 113.87 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 2.02 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.439 ' CG2' ' CE1' ' A' ' 16' ' ' TYR . 13.0 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 1.73 110.912 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.829 ' HD3' HD11 ' A' ' 7' ' ' ILE . 6.5 ttmt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.792 0.33 . . . . 2.9500000000000002 110.463 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 8.6 mtm180 -154.18 115.28 4.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 4.5899999999999999 110.951 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.829 HD11 ' HD3' ' A' ' 5' ' ' LYS . 1.4 mp -116.0 125.44 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 1.1100000000000001 110.994 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.528 ' C ' HD12 ' A' ' 9' ' ' ILE . 37.4 m80 -140.72 127.33 20.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 2.5600000000000001 110.884 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.738 HD11 HG22 ' A' ' 7' ' ' ILE . 3.2 mp -136.29 103.98 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 1.29 111.161 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.25 -144.61 11.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.818 -0.706 . . . . 0.75 112.368 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HG2' ' HD3' ' A' ' 13' ' ' ARG . 56.0 Cg_endo -71.61 65.05 3.03 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.371 2.047 . . . . 0.77000000000000002 111.953 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.33 25.06 34.58 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.758 -0.734 . . . . 1.1699999999999999 111.883 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HD3' ' HG2' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -105.25 79.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.864 0.364 . . . . 2.96 110.75 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.88 82.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.29 111.09 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -106.55 45.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 1.8999999999999999 110.877 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 18' ' ' THR . 14.2 t80 -89.89 112.79 24.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 1.54 110.732 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.2 p -138.82 113.87 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 1.46 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.685 HG22 ' HE2' ' A' ' 5' ' ' LYS . 13.0 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 1.73 110.912 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.829 ' HD3' HD11 ' A' ' 7' ' ' ILE . 6.5 ttmt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.792 0.33 . . . . 2.9500000000000002 110.463 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 8.6 mtm180 -154.18 115.28 4.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 4.5899999999999999 110.951 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.829 HD11 ' HD3' ' A' ' 5' ' ' LYS . 1.4 mp -116.0 125.44 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 1.1100000000000001 110.994 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.528 ' C ' HD12 ' A' ' 9' ' ' ILE . 30.2 m-70 -140.72 127.33 20.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 2.5600000000000001 110.884 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.738 HD11 HG22 ' A' ' 7' ' ' ILE . 3.2 mp -136.29 103.98 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 1.29 111.161 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.25 -144.61 11.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.818 -0.706 . . . . 0.75 112.368 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HG2' ' HD3' ' A' ' 13' ' ' ARG . 56.0 Cg_endo -71.61 65.05 3.03 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.371 2.047 . . . . 0.77000000000000002 111.953 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.33 25.06 34.58 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.758 -0.734 . . . . 1.1699999999999999 111.883 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HD3' ' HG2' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -105.25 79.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.864 0.364 . . . . 2.96 110.75 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.88 82.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.29 111.09 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -106.55 45.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 1.8999999999999999 110.877 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 18' ' ' THR . 14.2 t80 -89.89 112.79 24.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 1.54 110.732 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.2 p -138.82 113.87 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 1.46 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.685 HG22 ' HE2' ' A' ' 5' ' ' LYS . 13.0 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 1.73 110.912 179.991 . . . . . . . . 1 1 . 1 stop_ save_