data_4x0s_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 4x0s _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 ' 1' ' ' ORN . . . . . 0.444 ' HB3' ' C ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -89.15 133.79 34.26 Favored 'General case' 0 C--N 1.376 1.738 0 N-CA-C 114.881 1.438 . . . . 75.069999999999993 114.881 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.37 132.87 34.17 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.413 -0.588 . . . . 48.390000000000001 109.413 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mp -142.5 152.94 43.18 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.089 0.774 . . . . 45.799999999999997 113.089 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -148.01 165.71 29.95 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.012 -1.107 . . . . 50.649999999999999 108.012 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.5 t -98.03 125.23 51.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.06 -0.348 . . . . 37.170000000000002 110.06 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.332 -0.195 0 N-CA-C 108.999 -0.741 . . . . 71.329999999999998 108.999 173.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -131.4 160.62 34.55 Favored 'General case' 0 C--N 1.368 1.406 0 N-CA-C 107.728 -1.212 . . . . 52.600000000000001 107.728 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.31 123.54 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 108.013 -1.106 . . . . 29.289999999999999 108.013 169.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.22 149.68 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.789 -0.641 . . . . 35.920000000000002 111.273 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MAA . . . . . 0.457 ' HB1' ' HM1' ' A' ' 13' ' ' MAA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.07 155.08 41.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.523 0.678 . . . . 44.68 110.012 172.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.4 t -121.05 103.78 14.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.958 -1.019 . . . . 51.829999999999998 108.548 172.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' C ' ' HB3' ' A' ' 1' ' ' ORN . 11.2 ttpt . . . . . 0 CA--C 1.514 -0.427 0 C-N-CA 124.542 1.137 . . . . 75.319999999999993 110.141 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -89.15 133.79 34.26 Favored 'General case' 0 C--N 1.376 1.738 0 N-CA-C 114.881 1.438 . . . . 62.560000000000002 114.881 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.37 132.87 34.17 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.413 -0.588 . . . . 40.329999999999998 109.413 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mp -142.5 152.94 43.18 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.089 0.774 . . . . 38.159999999999997 113.089 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -148.01 165.71 29.95 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.012 -1.107 . . . . 42.210000000000001 108.012 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.5 t -98.03 125.23 51.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.06 -0.348 . . . . 37.170000000000002 110.06 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.332 -0.195 0 N-CA-C 108.999 -0.741 . . . . 62.579999999999998 108.999 173.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -131.4 160.62 34.55 Favored 'General case' 0 C--N 1.368 1.406 0 N-CA-C 107.728 -1.212 . . . . 43.829999999999998 107.728 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.31 123.54 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 108.013 -1.106 . . . . 24.699999999999999 108.013 169.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.22 149.68 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.789 -0.641 . . . . 29.93 111.273 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MAA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.07 155.08 41.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.523 0.678 . . . . 39.159999999999997 110.012 172.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.4 t -121.05 103.78 14.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.958 -1.019 . . . . 48.579999999999998 108.548 172.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt . . . . . 0 CA--C 1.514 -0.427 0 C-N-CA 124.542 1.137 . . . . 62.770000000000003 110.141 179.663 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -89.15 133.79 34.26 Favored 'General case' 0 C--N 1.376 1.738 0 N-CA-C 114.881 1.438 . . . . 62.560000000000002 114.881 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.37 132.87 34.17 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.413 -0.588 . . . . 40.329999999999998 109.413 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mp -142.5 152.94 43.18 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.089 0.774 . . . . 38.159999999999997 113.089 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -148.01 165.71 29.95 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.012 -1.107 . . . . 42.210000000000001 108.012 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.5 t -98.03 125.23 51.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.06 -0.348 . . . . 37.170000000000002 110.06 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.332 -0.195 0 N-CA-C 108.999 -0.741 . . . . 62.579999999999998 108.999 173.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -131.4 160.62 34.55 Favored 'General case' 0 C--N 1.368 1.406 0 N-CA-C 107.728 -1.212 . . . . 43.829999999999998 107.728 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.31 123.54 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 108.013 -1.106 . . . . 24.699999999999999 108.013 169.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.22 149.68 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.789 -0.641 . . . . 29.93 111.273 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MAA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.07 155.08 41.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.523 0.678 . . . . 39.159999999999997 110.012 172.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.4 t -121.05 103.78 14.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.958 -1.019 . . . . 48.579999999999998 108.548 172.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt . . . . . 0 CA--C 1.514 -0.427 0 C-N-CA 124.542 1.137 . . . . 62.770000000000003 110.141 179.663 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_