data_1b0q_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 1b0q _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' A ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.4 m 64.91 -81.37 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.049 1.739 . . . . 0.0 112.06 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.6 90.75 0.1 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.904 2.081 . . . . 0.0 108.449 176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m80 56.63 65.99 1.28 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.516 1.126 . . . . 0.0 110.366 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 170.94 142.82 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.559 1.944 . . . . 0.0 109.313 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -140.43 -34.02 0.54 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.202 0.601 . . . . 0.0 111.719 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 m -70.98 82.65 0.67 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.757 2.023 . . . . 0.0 111.649 -163.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -170.41 139.06 1.4 Allowed Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 124.988 1.315 . . . . 0.0 108.09 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -48.78 123.72 10.06 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.534 2.823 . . . . 0.0 111.565 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.254 7.9 p 44.98 75.03 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 126.083 1.753 . . . . 0.0 111.793 -171.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.004 0 O-C-N 121.936 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ' RE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' A ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.4 m 64.91 -81.37 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.049 1.739 . . . . 0.0 112.06 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.6 90.75 0.1 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.904 2.081 . . . . 0.0 108.449 176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m80 56.63 65.99 1.28 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.516 1.126 . . . . 0.0 110.366 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 170.94 142.82 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.559 1.944 . . . . 0.0 109.313 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -140.43 -34.02 0.54 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.202 0.601 . . . . 0.0 111.719 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 m -70.98 82.65 0.67 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.757 2.023 . . . . 0.0 111.649 -163.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -170.41 139.06 1.4 Allowed Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 124.988 1.315 . . . . 0.0 108.09 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -48.78 123.72 10.06 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.534 2.823 . . . . 0.0 111.565 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.254 7.9 p 44.98 75.03 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 126.083 1.753 . . . . 0.0 111.793 -171.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.004 0 O-C-N 121.936 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ' RE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' A ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.4 m 64.91 -81.37 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.049 1.739 . . . . 0.0 112.06 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.6 90.75 0.1 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.904 2.081 . . . . 0.0 108.449 176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m80 56.63 65.99 1.28 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.516 1.126 . . . . 0.0 110.366 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 170.94 142.82 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.559 1.944 . . . . 0.0 109.313 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -140.43 -34.02 0.54 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.202 0.601 . . . . 0.0 111.719 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 m -70.98 82.65 0.67 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.757 2.023 . . . . 0.0 111.649 -163.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -170.41 139.06 1.4 Allowed Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 124.988 1.315 . . . . 0.0 108.09 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -48.78 123.72 10.06 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.534 2.823 . . . . 0.0 111.565 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.254 7.9 p 44.98 75.03 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 126.083 1.753 . . . . 0.0 111.793 -171.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.004 0 O-C-N 121.936 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ' RE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_