data_2rll_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 2rll _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 7' ' ' SER . . . . . 0.65 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.979 -0.378 . . . . 4.37 109.979 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 7' ' ' SER . 66.7 Cg_endo -87.31 93.26 0.49 Allowed 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.584 2.19 . . . . 3.25 112.547 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.407 HG21 HD12 ' A' ' 9' ' ' ILE . 93.5 mt -62.22 -28.72 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.349 -0.844 . . . . 1.84 109.421 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -54.6 -35.57 63.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.29 -0.881 . . . . 1.29 109.588 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -54.75 -42.07 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 1.36 109.72 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -56.6 -41.49 77.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.109 -0.994 . . . . 1.79 109.438 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.3 t80 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.014 -0.993 . . . . 2.99 109.481 -179.809 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.65 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.979 -0.378 . . . . 4.16 109.979 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 7' ' ' SER . 66.7 Cg_endo -87.31 93.26 0.49 Allowed 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.584 2.19 . . . . 2.54 112.547 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.22 -28.72 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.349 -0.844 . . . . 1.43 109.421 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -54.6 -35.57 63.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.29 -0.881 . . . . 1.29 109.588 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -54.75 -42.07 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.75 109.72 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -56.6 -41.49 77.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.109 -0.994 . . . . 1.26 109.438 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.3 t80 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.014 -0.993 . . . . 2.7 109.481 -179.809 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.65 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.979 -0.378 . . . . 4.1600000000000001 109.979 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 7' ' ' SER . 66.7 Cg_endo -87.31 93.26 0.49 Allowed 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.584 2.19 . . . . 2.54 112.547 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.22 -28.72 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.349 -0.844 . . . . 1.4299999999999999 109.421 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -54.6 -35.57 63.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.29 -0.881 . . . . 1.29 109.588 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -54.75 -42.07 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.75 109.72 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -56.6 -41.49 77.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.109 -0.994 . . . . 1.26 109.438 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.3 t80 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.014 -0.993 . . . . 2.7000000000000002 109.481 -179.809 . . . . . . . . 0 0 . 1 stop_ save_