data_1edp_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 1edp _Structure_validation_residue.Date_analyzed 2016-10-06 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 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 121.953 0.882 . . . . 0.0 112.239 . -173.269 -69.522 -72.277 105.359 2.046 102.965 -61.79 -65.112 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.74 155.61 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 119.092 -1.043 . . . . 0.0 108.622 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.35 177.68 4.56 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.048 -130.941 -127.799 -68.652 102.007 2.024 103.885 -62.323 -123.581 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m -66.41 -53.2 38.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.863 1.315 . . . . 0.0 113.291 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 m -123.15 98.62 5.96 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.075 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -51.05 -25.07 4.41 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 124.813 2.244 . . . . 0.0 112.955 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.6 ttp -58.31 -49.55 76.77 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 117.515 -1.674 . . . . 0.0 115.019 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.07 96.65 0.07 Allowed 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 113.114 -1.857 . . . . 0.0 108.186 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -48.22 -31.34 5.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 122.986 1.374 . . . . 0.0 114.433 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.66 -47.04 77.35 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 123.628 1.68 . . . . 0.0 110.663 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -21.74 66.52 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 113.324 -1.762 . . . . 0.0 111.638 178.324 -123.581 -62.323 -68.652 103.885 2.024 102.007 -127.799 -130.941 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.67 -55.66 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 O-C-N 121.362 -0.836 . . . . 0.0 111.862 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -36.02 1.02 Allowed 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 123.243 1.497 . . . . 0.0 111.389 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.73 -71.1 0.09 Allowed 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 112.69 -2.05 . . . . 0.0 113.234 174.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 94.4 m -76.09 -22.92 55.03 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.015 -1.448 . . . . 0.0 112.72 179.421 -65.112 -61.79 -72.277 102.965 2.046 105.359 -69.522 -173.269 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 70.79 57.11 0.23 Allowed 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.479 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.295 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 O-C-N 125.727 1.892 . . . . 0.0 114.457 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 121.953 0.882 . . . . 0.0 112.239 . -173.269 -69.522 -72.277 105.359 2.046 102.965 -61.79 -65.112 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.74 155.61 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 119.092 -1.043 . . . . 0.0 108.622 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.35 177.68 4.56 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.048 -130.941 -127.799 -68.652 102.007 2.024 103.885 -62.323 -123.581 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m -66.41 -53.2 38.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.863 1.315 . . . . 0.0 113.291 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 m -123.15 98.62 5.96 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.075 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -51.05 -25.07 4.41 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 124.813 2.244 . . . . 0.0 112.955 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.6 ttp -58.31 -49.55 76.77 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 117.515 -1.674 . . . . 0.0 115.019 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.07 96.65 0.07 Allowed 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 113.114 -1.857 . . . . 0.0 108.186 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 1.7 mptt -48.22 -31.34 5.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 122.986 1.374 . . . . 0.0 114.433 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.66 -47.04 77.35 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 123.628 1.68 . . . . 0.0 110.663 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -21.74 66.52 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 113.324 -1.762 . . . . 0.0 111.638 178.324 -123.581 -62.323 -68.652 103.885 2.024 102.007 -127.799 -130.941 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.67 -55.66 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 O-C-N 121.362 -0.836 . . . . 0.0 111.862 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -36.02 1.02 Allowed 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 123.243 1.497 . . . . 0.0 111.389 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.73 -71.1 0.09 Allowed 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 112.69 -2.05 . . . . 0.0 113.234 174.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 94.4 m -76.09 -22.92 55.03 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.015 -1.448 . . . . 0.0 112.72 179.421 -65.112 -61.79 -72.277 102.965 2.046 105.359 -69.522 -173.269 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.672 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.9 OUTLIER 70.79 57.11 0.23 Allowed 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.479 -177.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.672 HD13 ' C ' ' A' ' 16' ' ' HIS 0.295 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 O-C-N 125.727 1.892 . . . . 0.0 114.457 177.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 121.953 0.882 . . . . 0.0 112.239 . -173.269 -69.522 -72.277 105.359 2.046 102.965 -61.79 -65.112 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.74 155.61 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 119.092 -1.043 . . . . 0.0 108.622 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.35 177.68 4.56 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.048 -130.941 -127.799 -68.652 102.007 2.024 103.885 -62.323 -123.581 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m -66.41 -53.2 38.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.863 1.315 . . . . 0.0 113.291 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 m -123.15 98.62 5.96 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.075 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -51.05 -25.07 4.41 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 124.813 2.244 . . . . 0.0 112.955 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.6 ttp -58.31 -49.55 76.77 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 117.515 -1.674 . . . . 0.0 115.019 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.07 96.65 0.07 Allowed 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 113.114 -1.857 . . . . 0.0 108.186 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 1.7 mptt -48.22 -31.34 5.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 122.986 1.374 . . . . 0.0 114.433 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.66 -47.04 77.35 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 123.628 1.68 . . . . 0.0 110.663 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -21.74 66.52 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 113.324 -1.762 . . . . 0.0 111.638 178.324 -123.581 -62.323 -68.652 103.885 2.024 102.007 -127.799 -130.941 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.67 -55.66 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 O-C-N 121.362 -0.836 . . . . 0.0 111.862 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -36.02 1.02 Allowed 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 123.243 1.497 . . . . 0.0 111.389 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.73 -71.1 0.09 Allowed 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 112.69 -2.05 . . . . 0.0 113.234 174.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 94.4 m -76.09 -22.92 55.03 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.015 -1.448 . . . . 0.0 112.72 179.421 -65.112 -61.79 -72.277 102.965 2.046 105.359 -69.522 -173.269 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.672 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.9 OUTLIER 70.79 57.11 0.23 Allowed 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.479 -177.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.672 HD13 ' C ' ' A' ' 16' ' ' HIS 0.295 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 O-C-N 125.727 1.892 . . . . 0.0 114.457 177.786 . . . . . . . . 3 3 . 1 stop_ save_