data_1pjd_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 1pjd _Structure_validation_residue.Date_analyzed 2016-10-07 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' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.878 0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . . . -94.7 -46.48 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 8' ' ' SER . . . -66.15 -68.91 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.48 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -35.12 -31.46 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.462 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.497 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . -81.07 -43.64 0.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.31 2.007 . . . . 0.0 110.481 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . -55.14 -62.65 1.52 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.494 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -35.21 -31.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 8' ' ' SER . . . -66.93 -62.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.492 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . . . -39.27 -55.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.51 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -55.09 -33.11 28.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.528 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -58.15 -31.84 67.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.484 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.67 -18.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.469 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.437 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -65.35 -16.43 63.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.469 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -73.79 -37.63 64.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.878 0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . . . -94.7 -46.48 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 8' ' ' SER . . . -66.15 -68.91 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.48 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -35.12 -31.46 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.462 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.497 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . -81.07 -43.64 0.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.31 2.007 . . . . 0.0 110.481 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . -55.14 -62.65 1.52 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.494 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -35.21 -31.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 8' ' ' SER . . . -66.93 -62.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.492 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . . . -39.27 -55.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.51 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -55.09 -33.11 28.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.528 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -58.15 -31.84 67.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.484 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.67 -18.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.469 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.437 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -65.35 -16.43 63.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.469 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -73.79 -37.63 64.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.878 0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . . . -94.7 -46.48 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 8' ' ' SER . . . -66.15 -68.91 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.48 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -35.12 -31.46 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.462 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.497 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . -81.07 -43.64 0.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.31 2.007 . . . . 0.0 110.481 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . -55.14 -62.65 1.52 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.494 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -35.21 -31.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 8' ' ' SER . . . -66.93 -62.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.492 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . . . -39.27 -55.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.51 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -55.09 -33.11 28.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.528 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -58.15 -31.84 67.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.484 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.67 -18.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.469 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.437 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -65.35 -16.43 63.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.469 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -73.79 -37.63 64.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 stop_ save_