data_6rou_residue ############################ # Computer software used # ############################ 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 6rou _Structure_validation_residue.Date_analyzed 2020-07-03 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 ecloud orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.71 0 O4'-C4'-C3' 103.562 -2.038 . . . . 107.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.843 0 C3'-C2'-C1' 99.61 -2.207 . . . . 115.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.407 -2.046 0 C4'-C3'-C2' 99.955 -3.245 . . . . 125.79 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.616 0 C4'-C3'-C2' 101.137 -2.063 . . . . 123.15 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ' DG' . . . . . 0.474 ' C4 ' ' C8 ' ' A' ' 6' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.686 0 P-O3'-C3' 121.069 1.141 . . . . 118.02 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ' DG' . . . . . 0.474 ' C8 ' ' C4 ' ' A' ' 5' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.401 -2.276 0 OP1-P-OP2 114.867 -3.155 . . . . 122.42 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.392 -2.979 0 C4'-C3'-C2' 99.784 -3.416 . . . . 133.19 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.504 -2.363 0 O4'-C4'-C3' 102.719 -2.881 . . . . 153.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.505 -2.255 0 C4'-C3'-C2' 99.749 -3.451 . . . . 141.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.22 0 O4'-C1'-N19 109.277 1.847 . . . . 154.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.602 ' O6 ' ' N6 ' ' A' ' 12' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.377 -4.168 0 OP1-P-OP2 121.061 0.974 . . . . 159.75 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ' DA' . . . . . 0.602 ' N6 ' ' O6 ' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.544 1.605 1 O4'-C1'-N19 111.927 5.159 . . . . 155.53 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.501 -2.693 0 O4'-C1'-N19 110.667 3.584 . . . . 162.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 C4'-C3'-C2' 100.033 -3.167 . . . . 138.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.41 -1.904 0 O4'-C1'-N19 110.317 3.146 . . . . 144.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.345 -6.622 0 O4'-C4'-C3' 102.448 -3.152 . . . . 119.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.397 -2.662 0 P-O3'-C3' 116.465 -2.696 . . . . 124.32 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.51 0 C4'-C3'-C2' 101.91 -1.29 . . . . 138.38 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.71 0 O4'-C4'-C3' 103.562 -2.038 . . . . 107.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ' DG' . . . . . 0.401 " O5'" ' H8 ' ' A' ' 2' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.843 0 C3'-C2'-C1' 99.61 -2.207 . . . . 115.94 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.407 -2.046 0 C4'-C3'-C2' 99.955 -3.245 . . . . 125.79 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.616 0 C4'-C3'-C2' 101.137 -2.063 . . . . 123.15 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ' DG' . . . . . 0.474 ' C4 ' ' C8 ' ' A' ' 6' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.686 0 P-O3'-C3' 121.069 1.141 . . . . 118.02 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ' DG' . . . . . 0.474 ' C8 ' ' C4 ' ' A' ' 5' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.401 -2.276 0 OP1-P-OP2 114.867 -3.155 . . . . 122.42 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.392 -2.979 0 C4'-C3'-C2' 99.784 -3.416 . . . . 133.19 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ' DC' . . . . . 0.432 " H2'" " O4'" ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.504 -2.363 0 O4'-C4'-C3' 102.719 -2.881 . . . . 153.04 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ' DT' . . . . . 0.432 " O4'" " H2'" ' A' ' 8' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.505 -2.255 0 C4'-C3'-C2' 99.749 -3.451 . . . . 141.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.22 0 O4'-C1'-N19 109.277 1.847 . . . . 154.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ' DG' . . . . . 0.602 ' O6 ' ' N6 ' ' A' ' 12' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.377 -4.168 0 OP1-P-OP2 121.061 0.974 . . . . 159.75 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ' DA' . . . . . 0.602 ' N6 ' ' O6 ' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.544 1.605 1 O4'-C1'-N19 111.927 5.159 . . . . 155.53 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ' DC' . . . . . 0.794 " H2'" ' H6 ' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.501 -2.693 0 O4'-C1'-N19 110.667 3.584 . . . . 162.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ' DC' . . . . . 0.794 ' H6 ' " H2'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 C4'-C3'-C2' 100.033 -3.167 . . . . 138.18 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ' DC' . . . . . 0.548 " H2'" " O4'" ' A' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.41 -1.904 0 O4'-C1'-N19 110.317 3.146 . . . . 144.04 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ' DA' . . . . . 0.548 " O4'" " H2'" ' A' ' 15' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.345 -6.622 0 O4'-C4'-C3' 102.448 -3.152 . . . . 119.71 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ' DC' . . . . . 0.543 ' C6 ' " H2'" ' A' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.397 -2.662 0 P-O3'-C3' 116.465 -2.696 . . . . 124.32 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ' DC' . . . . . 0.4 ' C6 ' " H2'" ' A' ' 17' ' ' ' DC' . . . . . . . . 0 P--O5' 1.608 1.51 0 C4'-C3'-C2' 101.91 -1.29 . . . . 138.38 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.71 0 O4'-C4'-C3' 103.562 -2.038 . . . . 107.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ' DG' . . . . . 0.401 " O5'" ' H8 ' ' A' ' 2' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.843 0 C3'-C2'-C1' 99.61 -2.207 . . . . 115.94 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.407 -2.046 0 C4'-C3'-C2' 99.955 -3.245 . . . . 125.79000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.616 0 C4'-C3'-C2' 101.137 -2.063 . . . . 123.15000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ' DG' . . . . . 0.474 ' C4 ' ' C8 ' ' A' ' 6' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.686 0 P-O3'-C3' 121.069 1.141 . . . . 118.02 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ' DG' . . . . . 0.474 ' C8 ' ' C4 ' ' A' ' 5' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.401 -2.276 0 OP1-P-OP2 114.867 -3.155 . . . . 122.42 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.392 -2.979 0 C4'-C3'-C2' 99.784 -3.416 . . . . 133.19 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ' DC' . . . . . 0.432 " H2'" " O4'" ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.504 -2.363 0 O4'-C4'-C3' 102.719 -2.881 . . . . 153.03999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.432 " O4'" " H2'" ' A' ' 8' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.505 -2.255 0 C4'-C3'-C2' 99.749 -3.451 . . . . 141.99000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.22 0 O4'-C1'-N19 109.277 1.847 . . . . 154.84999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.602 ' O6 ' ' N6 ' ' A' ' 12' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.377 -4.168 0 OP1-P-OP2 121.061 0.974 . . . . 159.75 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ' DA' . . . . . 0.602 ' N6 ' ' O6 ' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.544 1.605 1 O4'-C1'-N19 111.927 5.159 . . . . 155.53 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.794 " H2'" ' H6 ' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.501 -2.693 0 O4'-C1'-N19 110.667 3.584 . . . . 162.52000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.794 ' H6 ' " H2'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 C4'-C3'-C2' 100.033 -3.167 . . . . 138.18000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ' DC' . . . . . 0.548 " H2'" " O4'" ' A' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.41 -1.904 0 O4'-C1'-N19 110.317 3.146 . . . . 144.03999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ' DA' . . . . . 0.548 " O4'" " H2'" ' A' ' 15' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.345 -6.622 0 O4'-C4'-C3' 102.448 -3.152 . . . . 119.70999999999999 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ' DC' . . . . . 0.543 ' C6 ' " H2'" ' A' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.397 -2.662 0 P-O3'-C3' 116.465 -2.696 . . . . 124.31999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ' DC' . . . . . 0.4 ' C6 ' " H2'" ' A' ' 17' ' ' ' DC' . . . . . . . . 0 P--O5' 1.608 1.51 0 C4'-C3'-C2' 101.91 -1.29 . . . . 138.38 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_