data_6nb9_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 6nb9 _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 . . . . . . . . . . . . . 42.0 p90 . . . . . 0 C--O 1.254 1.329 0 N-CA-C 109.126 -0.694 . . . . 9.37 109.126 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.41 64.9 1.47 Allowed 'General case' 0 C--O 1.242 0.667 0 CA-C-O 122.303 1.049 . . . . 9.39 111.439 -174.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -131.1 131.35 44.1 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 124.742 1.217 . . . . 19.5 112.157 -171.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.0 t . . . . . 0 N--CA 1.511 2.602 0 N-CA-C 109.019 -0.734 . . . . 10.02 109.019 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.17 -69.69 1.34 Allowed Glycine 0 CA--C 1.532 1.138 0 O-C-N 123.941 0.775 . . . . 4.65 113.761 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -139.25 125.34 19.98 Favored 'General case' 0 C--O 1.25 1.114 0 C-N-CA 126.566 1.946 . . . . 12.34 111.572 -175.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -119.28 112.84 19.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.104 -1.407 . . . . 6.55 113.922 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -109.39 -3.71 16.89 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 124.155 0.982 . . . . 27.19 113.384 172.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.8 -144.27 10.74 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 125.187 1.375 . . . . 6.8 111.863 -177.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.53 131.22 56.23 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.128 0.971 . . . . 7.2 111.164 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.7 mt -127.45 109.68 20.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.783 -1.932 . . . . 7.76 105.783 170.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mm -130.95 123.14 53.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 123.183 0.593 . . . . 13.02 110.926 -165.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.29 117.97 4.27 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 110.434 -1.066 . . . . 9.87 110.434 175.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 113.059 0.763 . . . . 28.89 113.059 175.101 . . . . . . . . 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 build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.0 p90 . . . . . 0 C--O 1.254 1.329 0 N-CA-C 109.126 -0.694 . . . . 7.72 109.126 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.41 64.9 1.47 Allowed 'General case' 0 C--O 1.242 0.667 0 CA-C-O 122.303 1.049 . . . . 7.73 111.439 -174.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -131.1 131.35 44.1 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 124.742 1.217 . . . . 16.16 112.157 -171.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.0 t . . . . . 0 N--CA 1.511 2.602 0 N-CA-C 109.019 -0.734 . . . . 8.25 109.019 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.17 -69.69 1.34 Allowed Glycine 0 CA--C 1.532 1.138 0 O-C-N 123.941 0.775 . . . . 4.12 113.761 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -139.25 125.34 19.98 Favored 'General case' 0 C--O 1.25 1.114 0 C-N-CA 126.566 1.946 . . . . 10.19 111.572 -175.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -119.28 112.84 19.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.104 -1.407 . . . . 6.55 113.922 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -109.39 -3.71 16.89 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 124.155 0.982 . . . . 22.56 113.384 172.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.8 -144.27 10.74 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 125.187 1.375 . . . . 5.57 111.863 -177.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.53 131.22 56.23 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.128 0.971 . . . . 5.9 111.164 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.7 mt -127.45 109.68 20.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.783 -1.932 . . . . 6.37 105.783 170.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mm -130.95 123.14 53.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 123.183 0.593 . . . . 10.76 110.926 -165.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.29 117.97 4.27 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 110.434 -1.066 . . . . 9.87 110.434 175.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 113.059 0.763 . . . . 23.98 113.059 175.101 . . . . . . . . 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 nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.0 p90 . . . . . 0 C--O 1.254 1.329 0 N-CA-C 109.126 -0.694 . . . . 7.72 109.126 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.41 64.9 1.47 Allowed 'General case' 0 C--O 1.242 0.667 0 CA-C-O 122.303 1.049 . . . . 7.73 111.439 -174.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -131.1 131.35 44.1 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 124.742 1.217 . . . . 16.16 112.157 -171.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.0 t . . . . . 0 N--CA 1.511 2.602 0 N-CA-C 109.019 -0.734 . . . . 8.25 109.019 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.17 -69.69 1.34 Allowed Glycine 0 CA--C 1.532 1.138 0 O-C-N 123.941 0.775 . . . . 4.12 113.761 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -139.25 125.34 19.98 Favored 'General case' 0 C--O 1.25 1.114 0 C-N-CA 126.566 1.946 . . . . 10.19 111.572 -175.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -119.28 112.84 19.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.104 -1.407 . . . . 6.55 113.922 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -109.39 -3.71 16.89 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 124.155 0.982 . . . . 22.56 113.384 172.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.8 -144.27 10.74 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 125.187 1.375 . . . . 5.57 111.863 -177.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.53 131.22 56.23 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.128 0.971 . . . . 5.9 111.164 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.7 mt -127.45 109.68 20.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.783 -1.932 . . . . 6.37 105.783 170.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mm -130.95 123.14 53.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 123.183 0.593 . . . . 10.76 110.926 -165.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.29 117.97 4.27 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 110.434 -1.066 . . . . 9.87 110.434 175.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 113.059 0.763 . . . . 23.98 113.059 175.101 . . . . . . . . 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 stop_ save_