data_6rha_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 6rha _Structure_validation_residue.Date_analyzed 2020-03-20 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 ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 118.703 -0.665 . . . . 21.34 110.351 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 60.7 m -138.56 133.99 33.26 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-O 117.773 -1.108 . . . . 20.039999999999999 109.991 -174.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.82 140.53 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 107.448 -1.316 . . . . 10.039999999999999 107.448 170.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 61.1 m -134.54 124.26 25.23 Favored 'General case' 0 C--O 1.205 -1.276 0 CA-C-O 116.527 -1.702 . . . . 8.4100000000000001 106.886 176.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -105.66 107.2 18.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 126.188 2.18 . . . . 14.75 109.851 177.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 N--CA 1.488 1.447 0 C-N-CA 124.761 1.224 . . . . 19.739999999999998 109.214 -177.462 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.3 m120 . . . . . 0 C--O 1.248 0.997 0 N-CA-C 109.744 -0.465 . . . . 17.149999999999999 109.744 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m -129.06 138.81 52.1 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.367 1.042 . . . . 18.84 110.437 -172.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.1 t -136.59 132.07 48.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.785 -1.561 . . . . 10.220000000000001 106.785 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.7 m -126.69 124.92 40.93 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 116.543 -1.694 . . . . 8.1300000000000008 106.797 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -101.93 116.08 31.94 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 126.245 2.216 . . . . 12.800000000000001 107.641 171.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 C--O 1.258 1.529 0 N-CA-C 108.632 -0.877 . . . . 12.77 108.632 177.228 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 118.703 -0.665 . . . . 21.34 110.351 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 60.7 m -138.56 133.99 33.26 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-O 117.773 -1.108 . . . . 20.04 109.991 -174.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.82 140.53 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 107.448 -1.316 . . . . 10.04 107.448 170.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 61.1 m -134.54 124.26 25.23 Favored 'General case' 0 C--O 1.205 -1.276 0 CA-C-O 116.527 -1.702 . . . . 8.41 106.886 176.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -105.66 107.2 18.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 126.188 2.18 . . . . 14.75 109.851 177.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 N--CA 1.488 1.447 0 C-N-CA 124.761 1.224 . . . . 19.74 109.214 -177.462 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.3 m120 . . . . . 0 C--O 1.248 0.997 0 N-CA-C 109.744 -0.465 . . . . 17.15 109.744 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m -129.06 138.81 52.1 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.367 1.042 . . . . 18.84 110.437 -172.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.1 t -136.59 132.07 48.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.785 -1.561 . . . . 10.22 106.785 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.7 m -126.69 124.92 40.93 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 116.543 -1.694 . . . . 8.13 106.797 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -101.93 116.08 31.94 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 126.245 2.216 . . . . 12.8 107.641 171.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.258 1.529 0 N-CA-C 108.632 -0.877 . . . . 12.77 108.632 177.228 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 118.703 -0.665 . . . . 21.34 110.351 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 60.7 m -138.56 133.99 33.26 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-O 117.773 -1.108 . . . . 20.039999999999999 109.991 -174.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.82 140.53 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 107.448 -1.316 . . . . 10.039999999999999 107.448 170.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 61.1 m -134.54 124.26 25.23 Favored 'General case' 0 C--O 1.205 -1.276 0 CA-C-O 116.527 -1.702 . . . . 8.4100000000000001 106.886 176.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -105.66 107.2 18.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 126.188 2.18 . . . . 14.75 109.851 177.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 N--CA 1.488 1.447 0 C-N-CA 124.761 1.224 . . . . 19.739999999999998 109.214 -177.462 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.3 m120 . . . . . 0 C--O 1.248 0.997 0 N-CA-C 109.744 -0.465 . . . . 17.149999999999999 109.744 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m -129.06 138.81 52.1 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.367 1.042 . . . . 18.84 110.437 -172.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.1 t -136.59 132.07 48.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.785 -1.561 . . . . 10.220000000000001 106.785 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.7 m -126.69 124.92 40.93 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 116.543 -1.694 . . . . 8.1300000000000008 106.797 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -101.93 116.08 31.94 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 126.245 2.216 . . . . 12.800000000000001 107.641 171.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 C--O 1.258 1.529 0 N-CA-C 108.632 -0.877 . . . . 12.77 108.632 177.228 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_