data_1bdk_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 1bdk _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' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.11 62.43 32.31 Favored Pre-proline 0 C--O 1.259 1.599 0 C-N-CA 127.7 2.4 . . . . 0.0 109.771 168.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -32.35 104.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 124.365 3.377 . . . . 0.0 119.352 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 140.84 -42.88 1.15 Allowed Glycine 0 CA--C 1.474 -2.524 0 N-CA-C 106.463 -2.655 . . . . 0.0 106.463 -156.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TIH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.6 t -103.1 38.73 1.69 Allowed 'General case' 0 C--O 1.255 1.358 0 CA-C-O 124.485 2.088 . . . . 0.0 107.827 167.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' IGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' OIC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 . . . . . 0 C--O 1.254 1.306 0 O-C-N 118.376 -2.702 . . . . 0.0 116.983 -168.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.11 62.43 32.31 Favored Pre-proline 0 C--O 1.259 1.599 0 C-N-CA 127.7 2.4 . . . . 0.0 109.771 168.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -32.35 104.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 124.365 3.377 . . . . 0.0 119.352 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 140.84 -42.88 1.15 Allowed Glycine 0 CA--C 1.474 -2.524 0 N-CA-C 106.463 -2.655 . . . . 0.0 106.463 -156.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TIH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.6 t -103.1 38.73 1.69 Allowed 'General case' 0 C--O 1.255 1.358 0 CA-C-O 124.485 2.088 . . . . 0.0 107.827 167.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' IGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' OIC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 . . . . . 0 C--O 1.254 1.306 0 O-C-N 118.376 -2.702 . . . . 0.0 116.983 -168.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.11 62.43 32.31 Favored Pre-proline 0 C--O 1.259 1.599 0 C-N-CA 127.7 2.4 . . . . 0.0 109.771 168.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -32.35 104.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 124.365 3.377 . . . . 0.0 119.352 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 140.84 -42.88 1.15 Allowed Glycine 0 CA--C 1.474 -2.524 0 N-CA-C 106.463 -2.655 . . . . 0.0 106.463 -156.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TIH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.6 t -103.1 38.73 1.69 Allowed 'General case' 0 C--O 1.255 1.358 0 CA-C-O 124.485 2.088 . . . . 0.0 107.827 167.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' IGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' OIC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 . . . . . 0 C--O 1.254 1.306 0 O-C-N 118.376 -2.702 . . . . 0.0 116.983 -168.953 . . . . . . . . 0 0 . 1 stop_ save_