data_1etn_residue 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 1etn _Structure_validation_residue.Date_analyzed 2016-10-12 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 ' 5' ' ' MPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.47 -2.106 0 N-CA-C 113.856 1.058 . . . . 0.08 113.856 . -80.738 -44.959 -68.287 102.52 2.032 103.564 -79.74 -64.512 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.69 -18.52 59.95 Favored 'General case' 0 C--O 1.196 -1.758 0 N-CA-C 115.249 1.574 . . . . 0.23 115.249 173.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.74 6.85 34.46 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.396 1.878 . . . . 0.21 110.82 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.2 m 49.85 50.65 18.03 Favored 'General case' 0 C--O 1.19 -2.029 0 CA-C-O 123.966 1.841 . . . . 0.07 111.902 -173.377 -74.83 -52.645 -77.12 103.12 2.019 106.471 -76.534 -57.75 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.8 p -78.17 -10.15 59.51 Favored 'General case' 0 C--N 1.391 2.377 0 C-N-CA 116.288 -2.165 . . . . 0.08 113.867 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -142.29 148.53 48.11 Favored Pre-proline 0 C--N 1.366 1.299 0 N-CA-C 106.829 -1.545 . . . . 0.15 106.829 171.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -60.37 -26.36 82.53 Favored 'Trans proline' 0 CA--C 1.47 -2.682 0 C-N-CA 121.536 1.491 . . . . 0.27 115.223 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.88 -8.43 55.52 Favored 'General case' 0 C--N 1.421 3.71 0 N-CA-C 114.19 1.182 . . . . 0.12 114.19 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.8 m -71.86 148.78 45.83 Favored 'General case' 0 N--CA 1.419 -2.019 0 O-C-N 121.502 -0.749 . . . . 0.08 109.35 178.187 -64.512 -79.74 -68.287 103.564 2.032 102.52 -44.959 -80.738 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.78 138.88 58.64 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-O 122.472 1.129 . . . . 0.1 109.761 -175.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.45 9.59 86.75 Favored Glycine 0 N--CA 1.413 -2.889 0 CA-C-O 117.269 -1.851 . . . . 0.06 115.068 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.1 m . . . . . 0 CA--C 1.567 1.6 0 CA-C-O 115.812 -2.042 . . . . 0.14 111.61 -171.896 -57.75 -76.534 -77.12 106.471 2.019 103.12 -52.645 -74.83 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' MPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.47 -2.106 0 N-CA-C 113.856 1.058 . . . . 0.08 113.856 . -80.738 -44.959 -68.287 102.52 2.032 103.564 -79.74 -64.512 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.69 -18.52 59.95 Favored 'General case' 0 C--O 1.196 -1.758 0 N-CA-C 115.249 1.574 . . . . 0.23 115.249 173.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.74 6.85 34.46 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.396 1.878 . . . . 0.21 110.82 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.2 m 49.85 50.65 18.03 Favored 'General case' 0 C--O 1.19 -2.029 0 CA-C-O 123.966 1.841 . . . . 0.07 111.902 -173.377 -74.83 -52.645 -77.12 103.12 2.019 106.471 -76.534 -57.75 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.8 p -78.17 -10.15 59.51 Favored 'General case' 0 C--N 1.391 2.377 0 C-N-CA 116.288 -2.165 . . . . 0.08 113.867 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -142.29 148.53 48.11 Favored Pre-proline 0 C--N 1.366 1.299 0 N-CA-C 106.829 -1.545 . . . . 0.15 106.829 171.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -60.37 -26.36 82.53 Favored 'Trans proline' 0 CA--C 1.47 -2.682 0 C-N-CA 121.536 1.491 . . . . 0.27 115.223 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.88 -8.43 55.52 Favored 'General case' 0 C--N 1.421 3.71 0 N-CA-C 114.19 1.182 . . . . 0.12 114.19 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.8 m -71.86 148.78 45.83 Favored 'General case' 0 N--CA 1.419 -2.019 0 O-C-N 121.502 -0.749 . . . . 0.08 109.35 178.187 -64.512 -79.74 -68.287 103.564 2.032 102.52 -44.959 -80.738 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.78 138.88 58.64 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-O 122.472 1.129 . . . . 0.1 109.761 -175.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.45 9.59 86.75 Favored Glycine 0 N--CA 1.413 -2.889 0 CA-C-O 117.269 -1.851 . . . . 0.06 115.068 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.1 m . . . . . 0 CA--C 1.567 1.6 0 CA-C-O 115.812 -2.042 . . . . 0.14 111.61 -171.896 -57.75 -76.534 -77.12 106.471 2.019 103.12 -52.645 -74.83 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' MPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.47 -2.106 0 N-CA-C 113.856 1.058 . . . . 0.08 113.856 . -80.738 -44.959 -68.287 102.52 2.032 103.564 -79.74 -64.512 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.69 -18.52 59.95 Favored 'General case' 0 C--O 1.196 -1.758 0 N-CA-C 115.249 1.574 . . . . 0.23 115.249 173.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.74 6.85 34.46 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.396 1.878 . . . . 0.21 110.82 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.2 m 49.85 50.65 18.03 Favored 'General case' 0 C--O 1.19 -2.029 0 CA-C-O 123.966 1.841 . . . . 0.07 111.902 -173.377 -74.83 -52.645 -77.12 103.12 2.019 106.471 -76.534 -57.75 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.8 p -78.17 -10.15 59.51 Favored 'General case' 0 C--N 1.391 2.377 0 C-N-CA 116.288 -2.165 . . . . 0.08 113.867 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -142.29 148.53 48.11 Favored Pre-proline 0 C--N 1.366 1.299 0 N-CA-C 106.829 -1.545 . . . . 0.15 106.829 171.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -60.37 -26.36 82.53 Favored 'Trans proline' 0 CA--C 1.47 -2.682 0 C-N-CA 121.536 1.491 . . . . 0.27 115.223 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.88 -8.43 55.52 Favored 'General case' 0 C--N 1.421 3.71 0 N-CA-C 114.19 1.182 . . . . 0.12 114.19 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.8 m -71.86 148.78 45.83 Favored 'General case' 0 N--CA 1.419 -2.019 0 O-C-N 121.502 -0.749 . . . . 0.08 109.35 178.187 -64.512 -79.74 -68.287 103.564 2.032 102.52 -44.959 -80.738 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.78 138.88 58.64 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-O 122.472 1.129 . . . . 0.1 109.761 -175.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.45 9.59 86.75 Favored Glycine 0 N--CA 1.413 -2.889 0 CA-C-O 117.269 -1.851 . . . . 0.06 115.068 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.1 m . . . . . 0 CA--C 1.567 1.6 0 CA-C-O 115.812 -2.042 . . . . 0.14 111.61 -171.896 -57.75 -76.534 -77.12 106.471 2.019 103.12 -52.645 -74.83 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_