data_5awl_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 5awl _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--O 1.234 0.243 0 CA-C-O 116.247 -1.835 . . . . 23.32 107.729 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -93.26 138.44 31.64 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 121.299 1.863 . . . . 13.52 109.726 169.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -75.58 133.63 73.65 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 114.717 -1.129 . . . . 8.4800000000000004 111.308 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.8 -20.92 25.58 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 N-CA-C 114.919 1.084 . . . . 12.06 114.919 -174.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -91.87 -40.79 10.98 Favored 'General case' 0 C--O 1.254 1.312 0 C-N-CA 123.828 0.851 . . . . 30.899999999999999 112.48 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.4 p -106.28 -17.07 14.41 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 112.461 0.541 . . . . 16.539999999999999 112.461 -172.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.4 17.04 74.05 Favored Glycine 0 CA--C 1.497 -1.082 0 O-C-N 119.733 -1.854 . . . . 9.7799999999999994 114.628 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.9 p -104.0 153.27 21.03 Favored 'General case' 0 N--CA 1.419 -2.006 0 O-C-N 119.563 -2.14 . . . . 11.85 110.116 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -80.57 133.24 35.75 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 124.321 1.048 . . . . 10.970000000000001 108.983 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 p90 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 113.348 -3.215 . . . . 9.2799999999999994 111.977 174.27 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--O 1.234 0.243 0 CA-C-O 116.247 -1.835 . . . . 23.32 107.729 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -93.26 138.44 31.64 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 121.299 1.863 . . . . 13.52 109.726 169.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -75.58 133.63 73.65 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 114.717 -1.129 . . . . 8.4800000000000004 111.308 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.8 -20.92 25.58 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 N-CA-C 114.919 1.084 . . . . 12.06 114.919 -174.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -91.87 -40.79 10.98 Favored 'General case' 0 C--O 1.254 1.312 0 C-N-CA 123.828 0.851 . . . . 30.899999999999999 112.48 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.4 p -106.28 -17.07 14.41 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 112.461 0.541 . . . . 16.539999999999999 112.461 -172.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.4 17.04 74.05 Favored Glycine 0 CA--C 1.497 -1.082 0 O-C-N 119.733 -1.854 . . . . 9.7799999999999994 114.628 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.9 p -104.0 153.27 21.03 Favored 'General case' 0 N--CA 1.419 -2.006 0 O-C-N 119.563 -2.14 . . . . 11.85 110.116 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -80.57 133.24 35.75 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 124.321 1.048 . . . . 10.970000000000001 108.983 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 p90 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 113.348 -3.215 . . . . 9.2799999999999994 111.977 174.27 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--O 1.234 0.243 0 CA-C-O 116.247 -1.835 . . . . 23.32 107.729 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -93.26 138.44 31.64 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 121.299 1.863 . . . . 13.52 109.726 169.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -75.58 133.63 73.65 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 114.717 -1.129 . . . . 8.4800000000000004 111.308 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.8 -20.92 25.58 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 N-CA-C 114.919 1.084 . . . . 12.06 114.919 -174.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -91.87 -40.79 10.98 Favored 'General case' 0 C--O 1.254 1.312 0 C-N-CA 123.828 0.851 . . . . 30.899999999999999 112.48 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.4 p -106.28 -17.07 14.41 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 112.461 0.541 . . . . 16.539999999999999 112.461 -172.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.4 17.04 74.05 Favored Glycine 0 CA--C 1.497 -1.082 0 O-C-N 119.733 -1.854 . . . . 9.7799999999999994 114.628 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.9 p -104.0 153.27 21.03 Favored 'General case' 0 N--CA 1.419 -2.006 0 O-C-N 119.563 -2.14 . . . . 11.85 110.116 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -80.57 133.24 35.75 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 124.321 1.048 . . . . 10.970000000000001 108.983 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 p90 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 113.348 -3.215 . . . . 9.2799999999999994 111.977 174.27 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_