data_1a9i_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 1a9i _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' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 8 C4'--C3' 1.368 -16.027 3 O4'-C1'-C2' 97.711 -7.626 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 7 P--O3' 1.346 -21.768 2 P-O3'-C3' 127.331 6.359 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.394 -4.749 1 P-O3'-C3' 125.56 4.883 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.472 -5.601 2 P-O3'-C3' 127.152 6.21 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 5 P--OP1 1.373 -6.568 3 O4'-C1'-N19 111.972 5.215 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' AAB . . . . . 0.493 HO1' ' H61' ' B' ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' DA' . . . . . 0.518 ' C2 ' ' C6 ' ' B' ' 17' ' ' ' DA' . . . . . . . . 3 P--OP1 1.381 -6.141 2 P-O3'-C3' 127.073 6.144 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.474 -11.891 2 P-O3'-C3' 127.175 6.229 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.484 -3.403 2 P-O3'-C3' 127.436 6.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . 0.498 " O5'" " H2'" ' A' ' 10' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.496 -2.175 2 P-O3'-C3' 125.864 5.136 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' DC' . . . . . 1.51 ' OP2' ' P ' ' A' ' 11' ' ' ' DC' . . . . . . . . 8 P--O5' 1.234 -35.889 3 P-O5'-C5' 143.418 14.074 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.415 " H3'" HO5' ' B' ' 12' ' ' ' DG' . . . . . . . . 4 C5'--C4' 1.325 -23.309 2 O4'-C4'-C3' 112.966 7.366 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.539 -5.438 3 O4'-C1'-N19 112.107 5.384 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--OP1 1.412 -4.3 0 P-O3'-C3' 124.384 3.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.491 -2.119 2 P-O3'-C3' 125.354 4.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . 1.011 ' H71' ' C5 ' ' B' ' 16' ' ' ' DT' . . . . . . . . 3 P--O3' 1.483 -10.301 2 P-O3'-C3' 127.18 6.233 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . 0.518 ' C6 ' ' C2 ' ' A' ' 7' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.506 -2.242 3 C4'-C3'-C2' 97.799 -5.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . 0.42 ' C5 ' ' C8 ' ' B' ' 17' ' ' ' DA' . . . . . . . . 2 P--O3' 1.554 -4.414 2 P-O3'-C3' 129.352 8.043 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 5 P--O3' 1.523 -6.982 2 P-O3'-C3' 125.419 4.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.477 -4.132 2 P-O3'-C3' 126.74 5.867 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.445 -7.294 2 P-O3'-C3' 128.876 7.646 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 12 P--O5' 1.39 -20.283 4 P-O3'-C3' 127.512 6.51 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 8 C4'--C3' 1.368 -16.027 3 O4'-C1'-C2' 97.711 -7.626 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' DG' . . . . . 0.419 H2'' ' OP2' ' A' ' 3' ' ' ' DC' . . . . . . . . 7 P--O3' 1.346 -21.768 2 P-O3'-C3' 127.331 6.359 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' DC' . . . . . 0.419 ' OP2' H2'' ' A' ' 2' ' ' ' DG' . . . . . . . . 2 O4'--C4' 1.394 -4.749 1 P-O3'-C3' 125.56 4.883 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.472 -5.601 2 P-O3'-C3' 127.152 6.21 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 5 P--OP1 1.373 -6.568 3 O4'-C1'-N19 111.972 5.215 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' AAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' DA' . . . . . 0.518 ' C2 ' ' C6 ' ' B' ' 17' ' ' ' DA' . . . . . . . . 3 P--OP1 1.381 -6.141 2 P-O3'-C3' 127.073 6.144 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.474 -11.891 2 P-O3'-C3' 127.175 6.229 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.484 -3.403 2 P-O3'-C3' 127.436 6.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . 0.414 " O5'" " H2'" ' A' ' 10' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.496 -2.175 2 P-O3'-C3' 125.864 5.136 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' DC' . . . . . 1.51 ' OP2' ' P ' ' A' ' 11' ' ' ' DC' . . . . . . . . 8 P--O5' 1.234 -35.889 3 P-O5'-C5' 143.418 14.074 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.325 -23.309 2 O4'-C4'-C3' 112.966 7.366 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.539 -5.438 3 O4'-C1'-N19 112.107 5.384 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--OP1 1.412 -4.3 0 P-O3'-C3' 124.384 3.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.491 -2.119 2 P-O3'-C3' 125.354 4.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.483 -10.301 2 P-O3'-C3' 127.18 6.233 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . 0.518 ' C6 ' ' C2 ' ' A' ' 7' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.506 -2.242 3 C4'-C3'-C2' 97.799 -5.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . 0.42 ' C5 ' ' C8 ' ' B' ' 17' ' ' ' DA' . . . . . . . . 2 P--O3' 1.554 -4.414 2 P-O3'-C3' 129.352 8.043 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 5 P--O3' 1.523 -6.982 2 P-O3'-C3' 125.419 4.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.477 -4.132 2 P-O3'-C3' 126.74 5.867 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.445 -7.294 2 P-O3'-C3' 128.876 7.646 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 12 P--O5' 1.39 -20.283 4 P-O3'-C3' 127.512 6.51 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 8 C4'--C3' 1.368 -16.027 3 O4'-C1'-C2' 97.711 -7.626 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' DG' . . . . . 0.419 H2'' ' OP2' ' A' ' 3' ' ' ' DC' . . . . . . . . 7 P--O3' 1.346 -21.768 2 P-O3'-C3' 127.331 6.359 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' DC' . . . . . 0.419 ' OP2' H2'' ' A' ' 2' ' ' ' DG' . . . . . . . . 2 O4'--C4' 1.394 -4.749 1 P-O3'-C3' 125.56 4.883 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.472 -5.601 2 P-O3'-C3' 127.152 6.21 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 5 P--OP1 1.373 -6.568 3 O4'-C1'-N19 111.972 5.215 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' AAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' DA' . . . . . 0.518 ' C2 ' ' C6 ' ' B' ' 17' ' ' ' DA' . . . . . . . . 3 P--OP1 1.381 -6.141 2 P-O3'-C3' 127.073 6.144 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.474 -11.891 2 P-O3'-C3' 127.175 6.229 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.484 -3.403 2 P-O3'-C3' 127.436 6.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . 0.414 " O5'" " H2'" ' A' ' 10' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.496 -2.175 2 P-O3'-C3' 125.864 5.136 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' DC' . . . . . 1.51 ' OP2' ' P ' ' A' ' 11' ' ' ' DC' . . . . . . . . 8 P--O5' 1.234 -35.889 3 P-O5'-C5' 143.418 14.074 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.325 -23.309 2 O4'-C4'-C3' 112.966 7.366 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.539 -5.438 3 O4'-C1'-N19 112.107 5.384 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--OP1 1.412 -4.3 0 P-O3'-C3' 124.384 3.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.491 -2.119 2 P-O3'-C3' 125.354 4.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.483 -10.301 2 P-O3'-C3' 127.18 6.233 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . 0.518 ' C6 ' ' C2 ' ' A' ' 7' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.506 -2.242 3 C4'-C3'-C2' 97.799 -5.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . 0.42 ' C5 ' ' C8 ' ' B' ' 17' ' ' ' DA' . . . . . . . . 2 P--O3' 1.554 -4.414 2 P-O3'-C3' 129.352 8.043 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 5 P--O3' 1.523 -6.982 2 P-O3'-C3' 125.419 4.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.477 -4.132 2 P-O3'-C3' 126.74 5.867 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.445 -7.294 2 P-O3'-C3' 128.876 7.646 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 12 P--O5' 1.39 -20.283 4 P-O3'-C3' 127.512 6.51 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_