data_4wbv_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 4wbv _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 CA--C 1.509 -0.331 0 N-CA-C 112.139 -0.385 . . . . 12.75 112.139 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -155.51 156.73 35.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.684 0.754 . . . . 23.45 111.746 -177.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 71.9 t -136.8 127.26 40.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 113.866 -1.516 . . . . 13.15 108.423 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.49 138.14 54.37 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.24 -1.022 . . . . 9.97 108.24 171.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -146.27 143.97 12.22 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.679 -1.248 . . . . 8.24 112.306 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.007 0.432 . . . . 28.46 110.729 177.179 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.457 0 N-CA-C 111.42 -0.672 . . . . 16.75 111.42 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -138.59 151.56 47.39 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.459 0.647 . . . . 18.78 111.137 -175.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 90.6 t -136.46 129.63 46.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.813 -1.18 . . . . 9.21 107.813 172.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 5.1 mp -128.62 136.68 51.01 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.303 -0.999 . . . . 12.63 108.303 179.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -145.34 133.76 5.22 Favored Glycine 0 CA--C 1.498 -0.984 0 N-CA-C 110.421 -1.072 . . . . 20.32 110.421 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.712 0.767 . . . . 36.87 110.232 179.806 . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.331 0 N-CA-C 112.139 -0.385 . . . . 12.75 112.139 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -155.51 156.73 35.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.684 0.754 . . . . 23.449999999999999 111.746 -177.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 71.9 t -136.8 127.26 40.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 113.866 -1.516 . . . . 13.15 108.423 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.49 138.14 54.37 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.24 -1.022 . . . . 9.9700000000000006 108.24 171.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -146.27 143.97 12.22 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.679 -1.248 . . . . 8.2400000000000002 112.306 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.007 0.432 . . . . 28.460000000000001 110.729 177.179 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.457 0 N-CA-C 111.42 -0.672 . . . . 16.75 111.42 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -138.59 151.56 47.39 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.459 0.647 . . . . 18.780000000000001 111.137 -175.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 90.6 t -136.46 129.63 46.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.813 -1.18 . . . . 9.2100000000000009 107.813 172.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 5.1 mp -128.62 136.68 51.01 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.303 -0.999 . . . . 12.630000000000001 108.303 179.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -145.34 133.76 5.22 Favored Glycine 0 CA--C 1.498 -0.984 0 N-CA-C 110.421 -1.072 . . . . 20.32 110.421 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.712 0.767 . . . . 36.869999999999997 110.232 179.806 . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.331 0 N-CA-C 112.139 -0.385 . . . . 12.75 112.139 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -155.51 156.73 35.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.684 0.754 . . . . 23.449999999999999 111.746 -177.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 71.9 t -136.8 127.26 40.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 113.866 -1.516 . . . . 13.15 108.423 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.49 138.14 54.37 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.24 -1.022 . . . . 9.9700000000000006 108.24 171.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -146.27 143.97 12.22 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.679 -1.248 . . . . 8.2400000000000002 112.306 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.007 0.432 . . . . 28.460000000000001 110.729 177.179 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.457 0 N-CA-C 111.42 -0.672 . . . . 16.75 111.42 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -138.59 151.56 47.39 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.459 0.647 . . . . 18.780000000000001 111.137 -175.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 90.6 t -136.46 129.63 46.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.813 -1.18 . . . . 9.2100000000000009 107.813 172.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 5.1 mp -128.62 136.68 51.01 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.303 -0.999 . . . . 12.630000000000001 108.303 179.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -145.34 133.76 5.22 Favored Glycine 0 CA--C 1.498 -0.984 0 N-CA-C 110.421 -1.072 . . . . 20.32 110.421 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.712 0.767 . . . . 36.869999999999997 110.232 179.806 . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_