data_1aul_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 1aul _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' ' ' THX . . . . . 0.92 H451 " O4'" ' B' ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' DG' . . . . . 0.837 ' H22' ' C22' ' A' ' 1' ' ' THX . . . . . . . . 2 P--O5' 1.742 14.946 2 N19-C1'-C2' 107.036 -4.477 . . . . 0.67000000000000004 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . 0.683 ' N3 ' H232 ' A' ' 1' ' ' THX . . . . . . . . 2 P--O5' 1.726 13.271 1 C4'-C3'-C2' 107.76 4.56 . . . . 0.38 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' DT' . . . . . 0.689 ' O2 ' ' H2 ' ' B' ' 17' ' ' ' DA' . . . . . . . . 2 P--O5' 1.733 13.973 1 C4'-C3'-C2' 107.613 4.413 . . . . 0.77000000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . 0.493 H2'' ' OP2' ' A' ' 6' ' ' ' DA' . . . . . . . . 2 P--O5' 1.716 12.319 1 C4'-C3'-C2' 107.546 4.346 . . . . 1.1899999999999999 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.505 H2'' ' H72' ' A' ' 7' ' ' ' DT' . . . . . . . . 4 C3'--C2' 1.652 13.449 1 C5'-C4'-C3' 106.004 -5.798 . . . . 0.91000000000000003 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . 0.505 ' H72' H2'' ' A' ' 6' ' ' ' DA' . . . . . . . . 2 P--O5' 1.73 13.708 1 C4'-C3'-C2' 107.903 4.703 . . . . 0.62 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.733 14.001 1 C4'-C3'-C2' 107.589 4.389 . . . . 0.85999999999999999 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.647 H2'' ' OP2' ' A' ' 10' ' ' ' DG' . . . . . . . . 3 P--O5' 1.726 13.313 1 C4'-C3'-C2' 107.731 4.531 . . . . 1.1699999999999999 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' DG' . . . . . 0.743 HO3' " C3'" ' A' ' 10' ' ' ' DG' . . . . . . . . 2 P--O5' 1.732 13.87 0 C4'-C3'-C2' 106.557 3.357 . . . . 1.1100000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.892 HO5' " C5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 1 C2'--C1' 1.584 4.498 1 C4'-C3'-C2' 107.892 4.692 . . . . 0.81000000000000005 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.601 " O5'" H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 2 P--O5' 1.733 13.959 1 C4'-C3'-C2' 108.047 4.847 . . . . 0.60999999999999999 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . 0.401 ' C4 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 2 P--O5' 1.727 13.419 1 C4'-C3'-C2' 107.389 4.189 . . . . 0.5 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.726 13.276 1 C4'-C3'-C2' 107.87 4.67 . . . . 0.45000000000000001 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.474 " H1'" " H5'" ' B' ' 16' ' ' ' DA' . . . . . . . . 2 P--O5' 1.736 14.295 1 C4'-C3'-C2' 107.314 4.114 . . . . 0.81999999999999995 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . 0.474 " H5'" " H1'" ' B' ' 15' ' ' ' DT' . . . . . . . . 3 P--O5' 1.73 13.673 1 C4'-C3'-C2' 107.695 4.495 . . . . 0.56000000000000005 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . 0.92 " O4'" H451 ' A' ' 1' ' ' THX . . . . . . . . 2 P--O5' 1.718 12.46 0 C4'-C3'-C2' 106.824 3.624 . . . . 0.81999999999999995 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . 0.779 ' O2 ' H331 ' A' ' 1' ' ' THX . . . . . . . . 4 P--O5' 1.744 15.088 1 C4'-C3'-C2' 107.834 4.634 . . . . 0.98999999999999999 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' DC' . . . . . 0.721 ' O2 ' H231 ' A' ' 1' ' ' THX . . . . . . . . 3 P--O5' 1.738 14.51 2 C4'-C3'-C2' 108.075 4.875 . . . . 0.51000000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.778 HO3' " C3'" ' B' ' 20' ' ' ' DA' . . . . . . . . 4 P--O5' 1.726 13.281 1 C5'-C4'-C3' 107.252 -4.966 . . . . 0.51000000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THX . . . . . 0.909 H452 " O4'" ' B' ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' DG' . . . . . 0.892 ' H21' ' C22' ' A' ' 1' ' ' THX . . . . . . . . 2 P--O5' 1.742 14.946 2 N19-C1'-C2' 107.036 -4.477 . . . . 0.67000000000000004 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . 0.634 ' C2 ' ' H26' ' A' ' 1' ' ' THX . . . . . . . . 2 P--O5' 1.726 13.271 1 C4'-C3'-C2' 107.76 4.56 . . . . 0.38 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' DT' . . . . . 0.685 ' O2 ' ' H2 ' ' B' ' 17' ' ' ' DA' . . . . . . . . 2 P--O5' 1.733 13.973 1 C4'-C3'-C2' 107.613 4.413 . . . . 0.38 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . 0.517 H2'' ' OP2' ' A' ' 6' ' ' ' DA' . . . . . . . . 2 P--O5' 1.716 12.319 1 C4'-C3'-C2' 107.546 4.346 . . . . 0.40000000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.517 ' OP2' H2'' ' A' ' 5' ' ' ' DT' . . . . . . . . 4 C3'--C2' 1.652 13.449 1 C5'-C4'-C3' 106.004 -5.798 . . . . 0.55000000000000004 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.73 13.708 1 C4'-C3'-C2' 107.903 4.703 . . . . 0.62 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.733 14.001 1 C4'-C3'-C2' 107.589 4.389 . . . . 0.85999999999999999 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.646 H2'' ' OP2' ' A' ' 10' ' ' ' DG' . . . . . . . . 3 P--O5' 1.726 13.313 1 C4'-C3'-C2' 107.731 4.531 . . . . 0.80000000000000004 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' DG' . . . . . 0.646 ' OP2' H2'' ' A' ' 9' ' ' ' DT' . . . . . . . . 2 P--O5' 1.732 13.87 0 C4'-C3'-C2' 106.557 3.357 . . . . 1.1100000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.6 H2'' " O5'" ' B' ' 12' ' ' ' DA' . . . . . . . . 1 C2'--C1' 1.584 4.498 1 C4'-C3'-C2' 107.892 4.692 . . . . 0.81000000000000005 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.6 " O5'" H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 2 P--O5' 1.733 13.959 1 C4'-C3'-C2' 108.047 4.847 . . . . 0.60999999999999999 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . 0.401 ' C4 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 2 P--O5' 1.727 13.419 1 C4'-C3'-C2' 107.389 4.189 . . . . 0.5 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.726 13.276 1 C4'-C3'-C2' 107.87 4.67 . . . . 0.45000000000000001 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.422 " H1'" " H5'" ' B' ' 16' ' ' ' DA' . . . . . . . . 2 P--O5' 1.736 14.295 1 C4'-C3'-C2' 107.314 4.114 . . . . 0.62 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.437 ' C2 ' ' C2 ' ' A' ' 6' ' ' ' DA' . . . . . . . . 3 P--O5' 1.73 13.673 1 C4'-C3'-C2' 107.695 4.495 . . . . 0.56000000000000005 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . 0.909 " O4'" H452 ' A' ' 1' ' ' THX . . . . . . . . 2 P--O5' 1.718 12.46 0 C4'-C3'-C2' 106.824 3.624 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . 0.791 ' O2 ' H332 ' A' ' 1' ' ' THX . . . . . . . . 4 P--O5' 1.744 15.088 1 C4'-C3'-C2' 107.834 4.634 . . . . 0.59999999999999998 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' DC' . . . . . 0.783 ' N4 ' H5M3 ' A' ' 1' ' ' THX . . . . . . . . 3 P--O5' 1.738 14.51 2 C4'-C3'-C2' 108.075 4.875 . . . . 0.51000000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.675 ' C4 ' H2'' ' B' ' 19' ' ' ' DC' . . . . . . . . 4 P--O5' 1.726 13.281 1 C5'-C4'-C3' 107.252 -4.966 . . . . 0.44 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THX . . . . . 0.909 H452 " O4'" ' B' ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' DG' . . . . . 0.892 ' H21' ' C22' ' A' ' 1' ' ' THX . . . . . . . . 2 P--O5' 1.742 14.946 2 N19-C1'-C2' 107.036 -4.477 . . . . 0.67000000000000004 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . 0.634 ' C2 ' ' H26' ' A' ' 1' ' ' THX . . . . . . . . 2 P--O5' 1.726 13.271 1 C4'-C3'-C2' 107.76 4.56 . . . . 0.38 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' DT' . . . . . 0.685 ' O2 ' ' H2 ' ' B' ' 17' ' ' ' DA' . . . . . . . . 2 P--O5' 1.733 13.973 1 C4'-C3'-C2' 107.613 4.413 . . . . 0.38 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . 0.517 H2'' ' OP2' ' A' ' 6' ' ' ' DA' . . . . . . . . 2 P--O5' 1.716 12.319 1 C4'-C3'-C2' 107.546 4.346 . . . . 0.40000000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.517 ' OP2' H2'' ' A' ' 5' ' ' ' DT' . . . . . . . . 4 C3'--C2' 1.652 13.449 1 C5'-C4'-C3' 106.004 -5.798 . . . . 0.55000000000000004 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.73 13.708 1 C4'-C3'-C2' 107.903 4.703 . . . . 0.62 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.733 14.001 1 C4'-C3'-C2' 107.589 4.389 . . . . 0.85999999999999999 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.646 H2'' ' OP2' ' A' ' 10' ' ' ' DG' . . . . . . . . 3 P--O5' 1.726 13.313 1 C4'-C3'-C2' 107.731 4.531 . . . . 0.80000000000000004 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' DG' . . . . . 0.646 ' OP2' H2'' ' A' ' 9' ' ' ' DT' . . . . . . . . 2 P--O5' 1.732 13.87 0 C4'-C3'-C2' 106.557 3.357 . . . . 1.1100000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.6 H2'' " O5'" ' B' ' 12' ' ' ' DA' . . . . . . . . 1 C2'--C1' 1.584 4.498 1 C4'-C3'-C2' 107.892 4.692 . . . . 0.81000000000000005 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.6 " O5'" H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 2 P--O5' 1.733 13.959 1 C4'-C3'-C2' 108.047 4.847 . . . . 0.60999999999999999 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . 0.401 ' C4 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 2 P--O5' 1.727 13.419 1 C4'-C3'-C2' 107.389 4.189 . . . . 0.5 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.726 13.276 1 C4'-C3'-C2' 107.87 4.67 . . . . 0.45000000000000001 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.422 " H1'" " H5'" ' B' ' 16' ' ' ' DA' . . . . . . . . 2 P--O5' 1.736 14.295 1 C4'-C3'-C2' 107.314 4.114 . . . . 0.62 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.437 ' C2 ' ' C2 ' ' A' ' 6' ' ' ' DA' . . . . . . . . 3 P--O5' 1.73 13.673 1 C4'-C3'-C2' 107.695 4.495 . . . . 0.56000000000000005 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . 0.909 " O4'" H452 ' A' ' 1' ' ' THX . . . . . . . . 2 P--O5' 1.718 12.46 0 C4'-C3'-C2' 106.824 3.624 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . 0.791 ' O2 ' H332 ' A' ' 1' ' ' THX . . . . . . . . 4 P--O5' 1.744 15.088 1 C4'-C3'-C2' 107.834 4.634 . . . . 0.59999999999999998 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' DC' . . . . . 0.783 ' N4 ' H5M3 ' A' ' 1' ' ' THX . . . . . . . . 3 P--O5' 1.738 14.51 2 C4'-C3'-C2' 108.075 4.875 . . . . 0.51000000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.675 ' C4 ' H2'' ' B' ' 19' ' ' ' DC' . . . . . . . . 4 P--O5' 1.726 13.281 1 C5'-C4'-C3' 107.252 -4.966 . . . . 0.44 . . . . . . . . . . 3 2 . 1 stop_ save_