data_1gjg_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 1gjg _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 ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -72.76 143.84 85.08 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.292 0.637 . . . . 0.0 109.633 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -69.52 128.1 15.76 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.233 2.622 . . . . 0.0 110.491 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.53 -20.08 23.06 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.178 0.991 . . . . 0.0 111.386 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -49.16 -53.77 19.44 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 124.551 1.141 . . . . 0.0 112.63 -173.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.6 p-90 -56.59 -39.87 74.28 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.533 0.333 . . . . 0.0 111.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -50.73 50.81 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.117 1.367 . . . . 0.0 109.111 -177.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.35 -52.08 40.22 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.233 1.813 . . . . 0.0 111.388 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.11 -50.71 67.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.627 1.171 . . . . 0.0 111.065 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.21 -63.69 1.08 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.071 0.949 . . . . 0.0 112.032 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -83.96 -58.95 2.57 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -169.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -69.86 -49.06 56.07 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.06 0.544 . . . . 0.0 109.861 -169.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -94.93 33.3 1.51 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.727 0.811 . . . . 0.0 110.146 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.051 0 O-C-N 121.612 -0.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -72.76 143.84 85.08 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.292 0.637 . . . . 0.0 109.633 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -69.52 128.1 15.76 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.233 2.622 . . . . 0.0 110.491 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.53 -20.08 23.06 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.178 0.991 . . . . 0.0 111.386 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -49.16 -53.77 19.44 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 124.551 1.141 . . . . 0.0 112.63 -173.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.6 p-90 -56.59 -39.87 74.28 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.533 0.333 . . . . 0.0 111.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -50.73 50.81 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.117 1.367 . . . . 0.0 109.111 -177.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.35 -52.08 40.22 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.233 1.813 . . . . 0.0 111.388 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.11 -50.71 67.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.627 1.171 . . . . 0.0 111.065 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.21 -63.69 1.08 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.071 0.949 . . . . 0.0 112.032 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -83.96 -58.95 2.57 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -169.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -69.86 -49.06 56.07 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.06 0.544 . . . . 0.0 109.861 -169.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -94.93 33.3 1.51 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.727 0.811 . . . . 0.0 110.146 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.051 0 O-C-N 121.612 -0.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -72.76 143.84 85.08 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.292 0.637 . . . . 0.0 109.633 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -69.52 128.1 15.76 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.233 2.622 . . . . 0.0 110.491 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.53 -20.08 23.06 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.178 0.991 . . . . 0.0 111.386 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -49.16 -53.77 19.44 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 124.551 1.141 . . . . 0.0 112.63 -173.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.6 p-90 -56.59 -39.87 74.28 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.533 0.333 . . . . 0.0 111.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -50.73 50.81 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.117 1.367 . . . . 0.0 109.111 -177.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.35 -52.08 40.22 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.233 1.813 . . . . 0.0 111.388 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.11 -50.71 67.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.627 1.171 . . . . 0.0 111.065 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.21 -63.69 1.08 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.071 0.949 . . . . 0.0 112.032 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -83.96 -58.95 2.57 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -169.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -69.86 -49.06 56.07 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.06 0.544 . . . . 0.0 109.861 -169.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -94.93 33.3 1.51 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.727 0.811 . . . . 0.0 110.146 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.051 0 O-C-N 121.612 -0.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_