data_4wbu_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 4wbu _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 ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 109.528 -1.429 . . . . 8.1 109.528 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -153.21 150.13 28.69 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.103 -0.639 . . . . 10.28 110.583 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 13.1 mtp -140.8 134.45 30.2 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.516 -1.291 . . . . 6.27 107.516 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -158.29 162.17 37.74 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 118.162 -1.415 . . . . 6.97 109.856 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -167.14 161.07 34.91 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 119.69 -1.243 . . . . 4.76 110.979 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 108.228 -1.027 . . . . 13.62 108.228 -176.491 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.362 0 CA-C-O 121.348 0.415 . . . . 12.01 113.086 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -146.4 153.4 40.44 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.329 -0.989 . . . . 12.65 108.329 -173.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 80.4 mtp -147.21 139.85 24.86 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.934 0.493 . . . . 11.7 110.067 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 8.0 tt -134.92 128.46 32.59 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 106.719 -1.585 . . . . 11.63 106.719 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -124.82 138.82 11.32 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 108.472 -1.851 . . . . 4.48 108.472 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 CA--C 1.508 -0.638 0 CA-C-N 115.323 -0.438 . . . . 15.06 110.882 -177.47 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 109.528 -1.429 . . . . 8.0999999999999996 109.528 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -153.21 150.13 28.69 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.103 -0.639 . . . . 10.279999999999999 110.583 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 13.1 mtp -140.8 134.45 30.2 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.516 -1.291 . . . . 13.4 107.516 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -158.29 162.17 37.74 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 118.162 -1.415 . . . . 6.9699999999999998 109.856 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -167.14 161.07 34.91 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 119.69 -1.243 . . . . 4.7599999999999998 110.979 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 108.228 -1.027 . . . . 13.619999999999999 108.228 -176.491 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.362 0 CA-C-O 121.348 0.415 . . . . 12.01 113.086 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -146.4 153.4 40.44 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.329 -0.989 . . . . 12.65 108.329 -173.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 80.4 mtp -147.21 139.85 24.86 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.934 0.493 . . . . 11.699999999999999 110.067 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 8.0 tt -134.92 128.46 32.59 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 106.719 -1.585 . . . . 11.630000000000001 106.719 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -124.82 138.82 11.32 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 108.472 -1.851 . . . . 4.4800000000000004 108.472 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 CA--C 1.508 -0.638 0 CA-C-N 115.323 -0.438 . . . . 15.06 110.882 -177.47 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 109.528 -1.429 . . . . 8.0999999999999996 109.528 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -153.21 150.13 28.69 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.103 -0.639 . . . . 10.279999999999999 110.583 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 13.1 mtp -140.8 134.45 30.2 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.516 -1.291 . . . . 13.4 107.516 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -158.29 162.17 37.74 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 118.162 -1.415 . . . . 6.9699999999999998 109.856 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -167.14 161.07 34.91 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 119.69 -1.243 . . . . 4.7599999999999998 110.979 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 108.228 -1.027 . . . . 13.619999999999999 108.228 -176.491 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.362 0 CA-C-O 121.348 0.415 . . . . 12.01 113.086 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -146.4 153.4 40.44 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.329 -0.989 . . . . 12.65 108.329 -173.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 80.4 mtp -147.21 139.85 24.86 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.934 0.493 . . . . 11.699999999999999 110.067 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 8.0 tt -134.92 128.46 32.59 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 106.719 -1.585 . . . . 11.630000000000001 106.719 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -124.82 138.82 11.32 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 108.472 -1.851 . . . . 4.4800000000000004 108.472 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 CA--C 1.508 -0.638 0 CA-C-N 115.323 -0.438 . . . . 15.06 110.882 -177.47 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_