data_4xfn_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 4xfn _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.63 0 CA-C-O 121.424 0.63 . . . . 7.51 110.872 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -128.99 125.0 36.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.475 -0.784 . . . . 5.7 110.462 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.7 t -121.77 125.32 73.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.217 -1.401 . . . . 4.17 107.217 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.9 t -132.54 114.66 23.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 N-CA-C 108.348 -0.982 . . . . 3.44 108.348 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -110.92 115.98 30.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.167 -1.049 . . . . 5.02 108.167 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.6 p . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.456 -0.572 . . . . 9.27 109.456 -179.67 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 120.707 0.289 . . . . 5.18 110.602 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -155.21 144.45 21.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 5.45 110.934 -175.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.49 138.46 52.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.433 -0.951 . . . . 2.0 108.433 168.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.39 133.08 64.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 106.152 -1.796 . . . . 2.22 106.152 169.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -148.44 160.59 42.9 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 118.817 -1.153 . . . . 6.76 112.311 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.242 0.658 0 CA-C-N 114.403 -1.271 . . . . 12.4 109.077 176.303 . . . . . . . . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.63 0 CA-C-O 121.424 0.63 . . . . 7.5099999999999998 110.872 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -128.99 125.0 36.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.475 -0.784 . . . . 5.7000000000000002 110.462 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.7 t -121.77 125.32 73.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.217 -1.401 . . . . 4.1699999999999999 107.217 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.9 t -132.54 114.66 23.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 N-CA-C 108.348 -0.982 . . . . 3.4399999999999999 108.348 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -110.92 115.98 30.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.167 -1.049 . . . . 5.0199999999999996 108.167 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.6 p . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.456 -0.572 . . . . 9.2699999999999996 109.456 -179.67 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 120.707 0.289 . . . . 5.1799999999999997 110.602 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -155.21 144.45 21.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 5.4500000000000002 110.934 -175.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.49 138.46 52.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.433 -0.951 . . . . 2.0 108.433 168.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.39 133.08 64.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 106.152 -1.796 . . . . 2.2200000000000002 106.152 169.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -148.44 160.59 42.9 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 118.817 -1.153 . . . . 6.7599999999999998 112.311 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.242 0.658 0 CA-C-N 114.403 -1.271 . . . . 12.4 109.077 176.303 . . . . . . . . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.63 0 CA-C-O 121.424 0.63 . . . . 7.5099999999999998 110.872 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -128.99 125.0 36.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.475 -0.784 . . . . 5.7000000000000002 110.462 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.7 t -121.77 125.32 73.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.217 -1.401 . . . . 4.1699999999999999 107.217 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.9 t -132.54 114.66 23.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 N-CA-C 108.348 -0.982 . . . . 3.4399999999999999 108.348 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -110.92 115.98 30.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.167 -1.049 . . . . 5.0199999999999996 108.167 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.6 p . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.456 -0.572 . . . . 9.2699999999999996 109.456 -179.67 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 120.707 0.289 . . . . 5.1799999999999997 110.602 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -155.21 144.45 21.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 5.4500000000000002 110.934 -175.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.49 138.46 52.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.433 -0.951 . . . . 2.0 108.433 168.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.39 133.08 64.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 106.152 -1.796 . . . . 2.2200000000000002 106.152 169.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -148.44 160.59 42.9 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 118.817 -1.153 . . . . 6.7599999999999998 112.311 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.242 0.658 0 CA-C-N 114.403 -1.271 . . . . 12.4 109.077 176.303 . . . . . . . . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_