data_6pqa_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 6pqa _Structure_validation_residue.Date_analyzed 2020-04-10 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' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 N--CA 1.486 1.987 0 N-CA-C 112.359 -0.296 . . . . 11.97 112.359 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.92 153.65 43.27 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 110.124 -0.324 . . . . 8.11 110.124 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.09 120.53 61.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 105.896 -1.89 . . . . 3.95 105.896 173.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.3 t -138.25 129.82 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.686 -0.406 . . . . 2.62 110.0 -165.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.97 134.68 7.85 Favored Glycine 0 N--CA 1.473 1.156 0 N-CA-C 110.698 -0.961 . . . . 3.81 110.698 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.552 0 N-CA-C 111.494 -0.642 . . . . 11.72 111.494 -179.394 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.494 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 N-CA-C 112.359 -0.296 . . . . 11.97 112.359 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.92 153.65 43.27 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 110.124 -0.324 . . . . 8.11 110.124 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.09 120.53 61.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 105.896 -1.89 . . . . 3.95 105.896 173.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.3 t -138.25 129.82 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.686 -0.406 . . . . 2.62 110.0 -165.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.97 134.68 7.85 Favored Glycine 0 N--CA 1.473 1.156 0 N-CA-C 110.698 -0.961 . . . . 3.81 110.698 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.552 0 N-CA-C 111.494 -0.642 . . . . 11.72 111.494 -179.394 . . . . . . . . 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 nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 N-CA-C 112.359 -0.296 . . . . 11.970000000000001 112.359 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.92 153.65 43.27 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 110.124 -0.324 . . . . 8.1099999999999994 110.124 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.09 120.53 61.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 105.896 -1.89 . . . . 3.9500000000000002 105.896 173.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.3 t -138.25 129.82 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.686 -0.406 . . . . 2.6200000000000001 110.0 -165.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.97 134.68 7.85 Favored Glycine 0 N--CA 1.473 1.156 0 N-CA-C 110.698 -0.961 . . . . 3.8100000000000001 110.698 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.552 0 N-CA-C 111.494 -0.642 . . . . 11.720000000000001 111.494 -179.394 . . . . . . . . 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 stop_ save_