data_2mua_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 2mua _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 ' 1' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? 67.98 85.5 0.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.911 1.284 . . . . 0.0 110.067 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.18 58.61 10.14 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 115.548 0.979 . . . . 0.0 115.548 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . 0.279 30.4 ptt180 46.89 60.27 3.48 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -77.74 -55.74 5.09 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.58 -52.45 50.24 Favored Glycine 0 CA--C 1.548 2.103 0 N-CA-C 117.402 1.721 . . . . 0.0 117.402 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.9 -48.17 86.91 Favored Glycine 0 CA--C 1.55 2.234 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -65.36 -37.32 86.68 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.266 6.8 mm -60.07 -49.64 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-N 120.093 1.315 . . . . 0.0 112.055 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.92 -39.39 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.917 0 CA-C-N 119.226 0.921 . . . . 0.0 111.126 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -61.53 -45.74 92.89 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.138 0.975 . . . . 0.0 112.716 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -69.91 -38.33 76.24 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 117.795 -1.097 . . . . 0.0 112.935 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.7 mtt -61.56 -46.89 87.99 Favored 'General case' 0 CA--C 1.567 1.605 0 CA-C-N 120.077 1.308 . . . . 0.0 110.683 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -50.3 -54.74 19.21 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.323 1.449 . . . . 0.0 113.128 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . 0.25 14.3 t -76.32 -20.75 56.97 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.94 -54.88 37.07 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-N 120.6 1.546 . . . . 0.0 108.917 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -27.58 49.97 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 116.991 -1.48 . . . . 0.0 112.668 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.07 -51.46 61.28 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-N 121.016 1.735 . . . . 0.0 111.622 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -70.44 -38.64 74.55 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.9 mt -72.39 -63.87 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 119.489 1.04 . . . . 0.0 111.43 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.4 mtt . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 124.595 1.158 . . . . 0.0 107.962 177.878 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? 67.98 85.5 0.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.911 1.284 . . . . 0.0 110.067 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.18 58.61 10.14 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 115.548 0.979 . . . . 0.0 115.548 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . 0.279 30.4 ptt180 46.89 60.27 3.48 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -77.74 -55.74 5.09 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.58 -52.45 50.24 Favored Glycine 0 CA--C 1.548 2.103 0 N-CA-C 117.402 1.721 . . . . 0.0 117.402 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.9 -48.17 86.91 Favored Glycine 0 CA--C 1.55 2.234 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -65.36 -37.32 86.68 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.266 6.8 mm -60.07 -49.64 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-N 120.093 1.315 . . . . 0.0 112.055 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.92 -39.39 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.917 0 CA-C-N 119.226 0.921 . . . . 0.0 111.126 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -61.53 -45.74 92.89 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.138 0.975 . . . . 0.0 112.716 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -69.91 -38.33 76.24 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 117.795 -1.097 . . . . 0.0 112.935 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.7 mtt -61.56 -46.89 87.99 Favored 'General case' 0 CA--C 1.567 1.605 0 CA-C-N 120.077 1.308 . . . . 0.0 110.683 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -50.3 -54.74 19.21 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.323 1.449 . . . . 0.0 113.128 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . 0.25 14.3 t -76.32 -20.75 56.97 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.94 -54.88 37.07 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-N 120.6 1.546 . . . . 0.0 108.917 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -27.58 49.97 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 116.991 -1.48 . . . . 0.0 112.668 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.07 -51.46 61.28 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-N 121.016 1.735 . . . . 0.0 111.622 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -70.44 -38.64 74.55 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.9 mt -72.39 -63.87 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 119.489 1.04 . . . . 0.0 111.43 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.4 mtt . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 124.595 1.158 . . . . 0.0 107.962 177.878 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? 67.98 85.5 0.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.911 1.284 . . . . 0.0 110.067 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.18 58.61 10.14 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 115.548 0.979 . . . . 0.0 115.548 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . 0.279 30.4 ptt180 46.89 60.27 3.48 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -77.74 -55.74 5.09 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.58 -52.45 50.24 Favored Glycine 0 CA--C 1.548 2.103 0 N-CA-C 117.402 1.721 . . . . 0.0 117.402 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.9 -48.17 86.91 Favored Glycine 0 CA--C 1.55 2.234 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -65.36 -37.32 86.68 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.266 6.8 mm -60.07 -49.64 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-N 120.093 1.315 . . . . 0.0 112.055 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.92 -39.39 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.917 0 CA-C-N 119.226 0.921 . . . . 0.0 111.126 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -61.53 -45.74 92.89 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.138 0.975 . . . . 0.0 112.716 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -69.91 -38.33 76.24 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 117.795 -1.097 . . . . 0.0 112.935 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.7 mtt -61.56 -46.89 87.99 Favored 'General case' 0 CA--C 1.567 1.605 0 CA-C-N 120.077 1.308 . . . . 0.0 110.683 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -50.3 -54.74 19.21 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.323 1.449 . . . . 0.0 113.128 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . 0.25 14.3 t -76.32 -20.75 56.97 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.94 -54.88 37.07 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-N 120.6 1.546 . . . . 0.0 108.917 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -27.58 49.97 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 116.991 -1.48 . . . . 0.0 112.668 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.07 -51.46 61.28 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-N 121.016 1.735 . . . . 0.0 111.622 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -70.44 -38.64 74.55 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.9 mt -72.39 -63.87 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 119.489 1.04 . . . . 0.0 111.43 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.4 mtt . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 124.595 1.158 . . . . 0.0 107.962 177.878 . . . . . . . . 0 0 . 1 stop_ save_