data_1gjf_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 1gjf _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' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -77.87 176.35 9.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.579 0.752 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.96 54.89 2.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.622 0.769 . . . . 0.0 110.702 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.45 162.52 27.05 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.42 1.01 . . . . 0.0 111.819 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -78.55 73.47 5.87 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.12 3.213 . . . . 0.0 109.827 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.9 tp -124.13 -51.62 1.77 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.095 0.958 . . . . 0.0 110.922 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -56.21 -48.73 75.86 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.833 0.453 . . . . 0.0 110.865 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.8 p-90 -69.67 -31.03 68.85 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.1 -44.33 89.16 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.283 0.492 . . . . 0.0 110.081 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -43.16 99.44 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.492 0.717 . . . . 0.0 111.098 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -58.42 -47.62 83.36 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.337 0.655 . . . . 0.0 110.721 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.41 -38.38 80.47 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.117 0.967 . . . . 0.0 111.547 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -67.92 -54.22 20.37 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.027 0.531 . . . . 0.0 110.836 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.65 -55.43 20.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.668 0.387 . . . . 0.0 111.08 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.57 -59.92 0.67 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.11 0 O-C-N 122.593 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -77.87 176.35 9.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.579 0.752 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.96 54.89 2.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.622 0.769 . . . . 0.0 110.702 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.45 162.52 27.05 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.42 1.01 . . . . 0.0 111.819 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -78.55 73.47 5.87 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.12 3.213 . . . . 0.0 109.827 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.9 tp -124.13 -51.62 1.77 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.095 0.958 . . . . 0.0 110.922 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -56.21 -48.73 75.86 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.833 0.453 . . . . 0.0 110.865 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.8 p-90 -69.67 -31.03 68.85 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.1 -44.33 89.16 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.283 0.492 . . . . 0.0 110.081 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -43.16 99.44 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.492 0.717 . . . . 0.0 111.098 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -58.42 -47.62 83.36 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.337 0.655 . . . . 0.0 110.721 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.41 -38.38 80.47 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.117 0.967 . . . . 0.0 111.547 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -67.92 -54.22 20.37 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.027 0.531 . . . . 0.0 110.836 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.65 -55.43 20.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.668 0.387 . . . . 0.0 111.08 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.57 -59.92 0.67 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.11 0 O-C-N 122.593 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -77.87 176.35 9.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.579 0.752 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.96 54.89 2.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.622 0.769 . . . . 0.0 110.702 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.45 162.52 27.05 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.42 1.01 . . . . 0.0 111.819 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -78.55 73.47 5.87 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.12 3.213 . . . . 0.0 109.827 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.9 tp -124.13 -51.62 1.77 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.095 0.958 . . . . 0.0 110.922 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -56.21 -48.73 75.86 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.833 0.453 . . . . 0.0 110.865 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.8 p-90 -69.67 -31.03 68.85 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.1 -44.33 89.16 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.283 0.492 . . . . 0.0 110.081 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -43.16 99.44 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.492 0.717 . . . . 0.0 111.098 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -58.42 -47.62 83.36 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.337 0.655 . . . . 0.0 110.721 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.41 -38.38 80.47 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.117 0.967 . . . . 0.0 111.547 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -67.92 -54.22 20.37 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.027 0.531 . . . . 0.0 110.836 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.65 -55.43 20.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.668 0.387 . . . . 0.0 111.08 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.57 -59.92 0.67 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.11 0 O-C-N 122.593 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_