data_1gje_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 1gje _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 . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 119.695 -0.193 . . . . 0.0 111.034 . -169.326 158.246 87.77 102.654 2.05 104.24 -155.34 -170.974 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -59.47 145.49 43.73 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.356 0.662 . . . . 0.0 110.543 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.37 65.1 6.37 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.905 0.882 . . . . 0.0 110.884 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.25 -173.19 49.66 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -61.9 -33.06 85.05 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.902 2.401 . . . . 0.0 110.68 172.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.9 mt -99.68 40.7 1.21 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.383 1.073 . . . . 0.0 110.363 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -59.23 -58.79 7.08 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.9 p-90 -51.2 -45.84 61.98 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 125.092 1.357 . . . . 0.0 111.204 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.98 -47.66 70.85 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.201 1.0 . . . . 0.0 109.242 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.22 -48.64 79.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.708 0.803 . . . . 0.0 111.613 -179.927 -170.974 -155.34 87.77 104.24 2.05 102.654 158.246 -169.326 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.14 -46.42 61.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.067 0.394 . . . . 0.0 111.419 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -66.76 -46.41 75.43 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.572 0.349 . . . . 0.0 111.842 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -97.98 -57.81 2.13 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.553 0.741 . . . . 0.0 111.206 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -89.51 39.87 0.97 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.083 0.553 . . . . 0.0 112.216 -169.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.38 -62.34 4.31 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.531 0.586 . . . . 0.0 112.515 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.056 0 CA-C-N 117.521 0.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 119.695 -0.193 . . . . 0.0 111.034 . -169.326 158.246 87.77 102.654 2.05 104.24 -155.34 -170.974 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -59.47 145.49 43.73 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.356 0.662 . . . . 0.0 110.543 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.37 65.1 6.37 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.905 0.882 . . . . 0.0 110.884 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.25 -173.19 49.66 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -61.9 -33.06 85.05 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.902 2.401 . . . . 0.0 110.68 172.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.9 mt -99.68 40.7 1.21 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.383 1.073 . . . . 0.0 110.363 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -59.23 -58.79 7.08 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.9 p-90 -51.2 -45.84 61.98 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 125.092 1.357 . . . . 0.0 111.204 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.98 -47.66 70.85 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.201 1.0 . . . . 0.0 109.242 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.22 -48.64 79.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.708 0.803 . . . . 0.0 111.613 -179.927 -170.974 -155.34 87.77 104.24 2.05 102.654 158.246 -169.326 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.14 -46.42 61.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.067 0.394 . . . . 0.0 111.419 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -66.76 -46.41 75.43 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.572 0.349 . . . . 0.0 111.842 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -97.98 -57.81 2.13 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.553 0.741 . . . . 0.0 111.206 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -89.51 39.87 0.97 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.083 0.553 . . . . 0.0 112.216 -169.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.38 -62.34 4.31 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.531 0.586 . . . . 0.0 112.515 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.056 0 CA-C-N 117.521 0.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 119.695 -0.193 . . . . 0.0 111.034 . -169.326 158.246 87.77 102.654 2.05 104.24 -155.34 -170.974 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -59.47 145.49 43.73 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.356 0.662 . . . . 0.0 110.543 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.37 65.1 6.37 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.905 0.882 . . . . 0.0 110.884 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.25 -173.19 49.66 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -61.9 -33.06 85.05 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.902 2.401 . . . . 0.0 110.68 172.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.9 mt -99.68 40.7 1.21 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.383 1.073 . . . . 0.0 110.363 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -59.23 -58.79 7.08 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.9 p-90 -51.2 -45.84 61.98 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 125.092 1.357 . . . . 0.0 111.204 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.98 -47.66 70.85 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.201 1.0 . . . . 0.0 109.242 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.22 -48.64 79.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.708 0.803 . . . . 0.0 111.613 -179.927 -170.974 -155.34 87.77 104.24 2.05 102.654 158.246 -169.326 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.14 -46.42 61.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.067 0.394 . . . . 0.0 111.419 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -66.76 -46.41 75.43 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.572 0.349 . . . . 0.0 111.842 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -97.98 -57.81 2.13 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.553 0.741 . . . . 0.0 111.206 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -89.51 39.87 0.97 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.083 0.553 . . . . 0.0 112.216 -169.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.38 -62.34 4.31 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.531 0.586 . . . . 0.0 112.515 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.056 0 CA-C-N 117.521 0.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_