data_1awy_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 1awy _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.293 0 CA-C-O 122.156 0.865 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -134.35 57.39 1.81 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.064 0.935 . . . . 0.0 111.127 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.5 mt -76.61 -32.72 58.23 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.818 0.818 . . . . 0.0 111.317 -172.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -47.38 -34.78 7.4 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.08 0.943 . . . . 0.0 111.121 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -39.88 83.76 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.189 0.995 . . . . 0.0 111.264 -171.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -28.51 66.24 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.792 0.806 . . . . 0.0 111.324 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.7 tp -73.95 -26.49 60.52 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.487 0.66 . . . . 0.0 112.242 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HA ' ' HG2' ' A' ' 15' ' ' LYS . 12.1 mt -71.9 -26.91 26.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 122.18 0.991 . . . . 0.0 110.832 172.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -37.52 83.48 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 122.017 0.913 . . . . 0.0 111.151 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.419 ' C ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . 9.2 mmpt? -48.28 -23.43 0.89 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.647 0.737 . . . . 0.0 111.788 171.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 14' ' ' CGU . 89.6 p -51.04 172.19 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 122.079 0.942 . . . . 0.0 111.271 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -40.56 9.85 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.894 174.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.485 -0.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.293 0 CA-C-O 122.156 0.865 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -134.35 57.39 1.81 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.064 0.935 . . . . 0.0 111.127 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.5 mt -76.61 -32.72 58.23 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.818 0.818 . . . . 0.0 111.317 -172.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -47.38 -34.78 7.4 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.08 0.943 . . . . 0.0 111.121 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -39.88 83.76 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.189 0.995 . . . . 0.0 111.264 -171.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -28.51 66.24 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.792 0.806 . . . . 0.0 111.324 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.7 tp -73.95 -26.49 60.52 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.487 0.66 . . . . 0.0 112.242 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.9 -26.91 26.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 122.18 0.991 . . . . 0.0 110.832 172.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -37.52 83.48 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 122.017 0.913 . . . . 0.0 111.151 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.419 ' C ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . 9.2 mmpt? -48.28 -23.43 0.89 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.647 0.737 . . . . 0.0 111.788 171.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 14' ' ' CGU . 89.6 p -51.04 172.19 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 122.079 0.942 . . . . 0.0 111.271 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -40.56 9.85 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.894 174.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.485 -0.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.293 0 CA-C-O 122.156 0.865 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -134.35 57.39 1.81 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.064 0.935 . . . . 0.0 111.127 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.5 mt -76.61 -32.72 58.23 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.818 0.818 . . . . 0.0 111.317 -172.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -47.38 -34.78 7.4 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.08 0.943 . . . . 0.0 111.121 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -39.88 83.76 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.189 0.995 . . . . 0.0 111.264 -171.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -28.51 66.24 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.792 0.806 . . . . 0.0 111.324 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.7 tp -73.95 -26.49 60.52 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.487 0.66 . . . . 0.0 112.242 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.9 -26.91 26.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 122.18 0.991 . . . . 0.0 110.832 172.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -37.52 83.48 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 122.017 0.913 . . . . 0.0 111.151 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.419 ' C ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . 9.2 mmpt? -48.28 -23.43 0.89 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.647 0.737 . . . . 0.0 111.788 171.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 14' ' ' CGU . 89.6 p -51.04 172.19 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 122.079 0.942 . . . . 0.0 111.271 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -40.56 9.85 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.894 174.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.485 -0.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_