data_4ubz_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 4ubz _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 ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 108.634 -1.786 . . . . 2.4199999999999999 108.634 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -172.12 179.73 43.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 119.28 -1.438 . . . . 2.3100000000000001 111.749 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -156.34 156.17 33.48 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.228 -1.027 . . . . 2.8199999999999998 108.228 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 61.9 tp -145.5 135.39 23.6 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.76 -1.2 . . . . 6.0800000000000001 107.76 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 93.0 mt -127.34 144.36 51.06 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.61 -0.885 . . . . 3.8199999999999998 108.61 168.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.754 0 O-C-N 123.516 0.51 . . . . 3.3300000000000001 112.682 177.119 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.526 0 N-CA-C 108.867 -1.693 . . . . 4.4100000000000001 108.867 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.59 -159.78 26.83 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 118.957 -1.592 . . . . 2.7200000000000002 113.634 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -144.78 149.89 36.26 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 114.408 -0.896 . . . . 2.6299999999999999 110.898 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 51.7 tp -128.19 129.98 47.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.092 -1.077 . . . . 3.9300000000000002 108.092 168.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 25.1 tp -125.48 127.18 46.08 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.313 -0.625 . . . . 3.2999999999999998 109.313 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.525 0 CA-C-O 118.08 -1.4 . . . . 3.1600000000000001 113.987 176.953 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 108.634 -1.786 . . . . 2.4199999999999999 108.634 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -172.12 179.73 43.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 119.28 -1.438 . . . . 2.3100000000000001 111.749 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -156.34 156.17 33.48 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.228 -1.027 . . . . 2.8199999999999998 108.228 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 61.9 tp -145.5 135.39 23.6 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.76 -1.2 . . . . 6.0800000000000001 107.76 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 93.0 mt -127.34 144.36 51.06 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.61 -0.885 . . . . 3.8199999999999998 108.61 168.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.754 0 O-C-N 123.516 0.51 . . . . 3.3300000000000001 112.682 177.119 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.526 0 N-CA-C 108.867 -1.693 . . . . 4.4100000000000001 108.867 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.59 -159.78 26.83 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 118.957 -1.592 . . . . 2.7200000000000002 113.634 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -144.78 149.89 36.26 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 114.408 -0.896 . . . . 2.6299999999999999 110.898 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 51.7 tp -128.19 129.98 47.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.092 -1.077 . . . . 3.9300000000000002 108.092 168.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 25.1 tp -125.48 127.18 46.08 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.313 -0.625 . . . . 3.2999999999999998 109.313 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.525 0 CA-C-O 118.08 -1.4 . . . . 3.1600000000000001 113.987 176.953 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 108.634 -1.786 . . . . 2.4199999999999999 108.634 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -172.12 179.73 43.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 119.28 -1.438 . . . . 2.3100000000000001 111.749 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -156.34 156.17 33.48 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.228 -1.027 . . . . 2.8199999999999998 108.228 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 61.9 tp -145.5 135.39 23.6 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.76 -1.2 . . . . 6.0800000000000001 107.76 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 93.0 mt -127.34 144.36 51.06 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.61 -0.885 . . . . 3.8199999999999998 108.61 168.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.754 0 O-C-N 123.516 0.51 . . . . 3.3300000000000001 112.682 177.119 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.526 0 N-CA-C 108.867 -1.693 . . . . 4.4100000000000001 108.867 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.59 -159.78 26.83 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 118.957 -1.592 . . . . 2.7200000000000002 113.634 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -144.78 149.89 36.26 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 114.408 -0.896 . . . . 2.6299999999999999 110.898 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 51.7 tp -128.19 129.98 47.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.092 -1.077 . . . . 3.9300000000000002 108.092 168.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 25.1 tp -125.48 127.18 46.08 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.313 -0.625 . . . . 3.2999999999999998 109.313 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.525 0 CA-C-O 118.08 -1.4 . . . . 3.1600000000000001 113.987 176.953 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_