data_6oiz_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 6oiz _Structure_validation_residue.Date_analyzed 2019-08-02 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 ' 20' ' ' PHE . . . . . 0.448 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 51.8 p90 . . . . . 0 CA--C 1.509 -0.6 0 N-CA-C 108.686 -0.857 . . . . 5.26 108.686 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 31' ' ' ILE . . . 56.45 42.61 27.24 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.432 0.634 . . . . 6.25 110.59 -179.252 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE2' ' N ' ' A' ' 20' ' ' PHE . 30.6 mp0 -67.85 -34.3 76.44 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.747 -0.661 . . . . 5.54 111.494 -176.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -143.99 99.06 3.33 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 105.662 -1.977 . . . . 18.65 105.662 -176.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -125.68 125.87 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 N-CA-C 108.345 -0.983 . . . . 8.32 108.345 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.06 -62.37 3.58 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 119.059 -1.543 . . . . 4.55 110.777 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -133.54 129.69 37.42 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.015 -1.106 . . . . 8.23 108.015 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -116.93 111.26 19.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.222 -1.399 . . . . 5.28 107.222 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -106.77 -4.59 19.2 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 123.857 0.723 . . . . 21.12 111.578 170.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.85 -140.75 7.89 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 109.05 -1.62 . . . . 5.55 109.05 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.21 129.43 51.38 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.96 -1.126 . . . . 5.1 107.96 -173.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . 0.422 HG22 ' HB2' ' A' ' 21' ' ' ALA . 68.8 mt -123.2 113.2 36.79 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.691 0 N-CA-C 105.4 -2.074 . . . . 6.11 105.4 170.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mm -125.57 123.52 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.417 -0.957 . . . . 10.67 108.417 -168.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.35 109.82 2.15 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 109.633 -1.387 . . . . 8.65 109.633 171.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 121.285 0.564 . . . . 34.51 109.67 174.777 . . . . . . . . 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 orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 51.8 p90 . . . . . 0 CA--C 1.509 -0.6 0 N-CA-C 108.686 -0.857 . . . . 4.3799999999999999 108.686 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.45 42.61 27.24 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.432 0.634 . . . . 5.21 110.59 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' OE2' ' N ' ' A' ' 20' ' ' PHE . 30.6 mp0 -67.85 -34.3 76.44 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.747 -0.661 . . . . 5.3899999999999997 111.494 -176.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -143.99 99.06 3.33 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 105.662 -1.977 . . . . 18.649999999999999 105.662 -176.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -125.68 125.87 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 N-CA-C 108.345 -0.983 . . . . 6.9299999999999997 108.345 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.06 -62.37 3.58 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 119.059 -1.543 . . . . 3.79 110.777 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -133.54 129.69 37.42 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.015 -1.106 . . . . 8.2300000000000004 108.015 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -116.93 111.26 19.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.222 -1.399 . . . . 4.7599999999999998 107.222 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -106.77 -4.59 19.2 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 123.857 0.723 . . . . 17.600000000000001 111.578 170.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.85 -140.75 7.89 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 109.05 -1.62 . . . . 4.9500000000000002 109.05 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.21 129.43 51.38 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.96 -1.126 . . . . 4.3200000000000003 107.96 -173.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -123.2 113.2 36.79 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.691 0 N-CA-C 105.4 -2.074 . . . . 5.0899999999999999 105.4 170.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mm -125.57 123.52 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.417 -0.957 . . . . 8.8900000000000006 108.417 -168.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.35 109.82 2.15 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 109.633 -1.387 . . . . 8.6500000000000004 109.633 171.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 121.285 0.564 . . . . 28.760000000000002 109.67 174.777 . . . . . . . . 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 build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 51.8 p90 . . . . . 0 CA--C 1.509 -0.6 0 N-CA-C 108.686 -0.857 . . . . 4.38 108.686 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.45 42.61 27.24 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.432 0.634 . . . . 5.21 110.59 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' OE2' ' N ' ' A' ' 20' ' ' PHE . 30.6 mp0 -67.85 -34.3 76.44 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.747 -0.661 . . . . 5.39 111.494 -176.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -143.99 99.06 3.33 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 105.662 -1.977 . . . . 18.65 105.662 -176.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -125.68 125.87 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 N-CA-C 108.345 -0.983 . . . . 6.93 108.345 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.06 -62.37 3.58 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 119.059 -1.543 . . . . 3.79 110.777 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -133.54 129.69 37.42 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.015 -1.106 . . . . 8.23 108.015 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -116.93 111.26 19.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.222 -1.399 . . . . 4.76 107.222 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -106.77 -4.59 19.2 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 123.857 0.723 . . . . 17.6 111.578 170.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.85 -140.75 7.89 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 109.05 -1.62 . . . . 4.95 109.05 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.21 129.43 51.38 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.96 -1.126 . . . . 4.32 107.96 -173.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -123.2 113.2 36.79 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.691 0 N-CA-C 105.4 -2.074 . . . . 5.09 105.4 170.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mm -125.57 123.52 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.417 -0.957 . . . . 8.89 108.417 -168.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.35 109.82 2.15 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 109.633 -1.387 . . . . 8.65 109.633 171.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 121.285 0.564 . . . . 28.76 109.67 174.777 . . . . . . . . 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 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_