data_1cek_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 1cek _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 ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.595 0 CA-C-O 120.996 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.28 59.43 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.061 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -93.69 -21.6 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.011 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -71.42 -34.16 70.08 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.936 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . . . -63.57 -37.77 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.035 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -54.56 -47.19 73.53 Favored 'General case' 0 C--O 1.184 -2.391 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.981 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . . . -57.57 -32.53 67.22 Favored 'General case' 0 C--N 1.287 -2.133 0 O-C-N 121.347 -0.846 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.25 -27.24 42.36 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.039 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . . . -73.95 -49.35 25.03 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.93 -13.32 61.98 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.964 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -79.39 -44.05 23.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . . . -61.83 -49.65 75.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.019 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . . . -56.41 -39.28 72.78 Favored 'General case' 0 C--O 1.176 -2.814 0 CA-C-O 122.382 1.087 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -70.14 -38.01 75.41 Favored 'General case' 0 C--N 1.271 -2.84 0 O-C-N 120.666 -1.271 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 114.976 -1.011 . . . . 0.0 . -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.595 0 CA-C-O 120.996 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.28 59.43 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.061 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -93.69 -21.6 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.011 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -71.42 -34.16 70.08 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.936 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . . . -63.57 -37.77 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.035 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -54.56 -47.19 73.53 Favored 'General case' 0 C--O 1.184 -2.391 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.981 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . . . -57.57 -32.53 67.22 Favored 'General case' 0 C--N 1.287 -2.133 0 O-C-N 121.347 -0.846 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.25 -27.24 42.36 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.039 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . . . -73.95 -49.35 25.03 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.93 -13.32 61.98 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.964 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -79.39 -44.05 23.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . . . -61.83 -49.65 75.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.019 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . . . -56.41 -39.28 72.78 Favored 'General case' 0 C--O 1.176 -2.814 0 CA-C-O 122.382 1.087 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -70.14 -38.01 75.41 Favored 'General case' 0 C--N 1.271 -2.84 0 O-C-N 120.666 -1.271 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 114.976 -1.011 . . . . 0.0 . -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.595 0 CA-C-O 120.996 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.28 59.43 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.061 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -93.69 -21.6 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.011 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -71.42 -34.16 70.08 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.936 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . . . -63.57 -37.77 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.035 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -54.56 -47.19 73.53 Favored 'General case' 0 C--O 1.184 -2.391 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.981 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . . . -57.57 -32.53 67.22 Favored 'General case' 0 C--N 1.287 -2.133 0 O-C-N 121.347 -0.846 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.25 -27.24 42.36 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.039 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . . . -73.95 -49.35 25.03 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.93 -13.32 61.98 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.964 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -79.39 -44.05 23.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . . . -61.83 -49.65 75.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.019 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . . . -56.41 -39.28 72.78 Favored 'General case' 0 C--O 1.176 -2.814 0 CA-C-O 122.382 1.087 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -70.14 -38.01 75.41 Favored 'General case' 0 C--N 1.271 -2.84 0 O-C-N 120.666 -1.271 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 114.976 -1.011 . . . . 0.0 . -179.961 . . . . . . . . 0 0 . 1 stop_ save_