data_2mue_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 2mue _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' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 117.438 2.384 . . . . 0.0 117.438 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.264 5.6 t 56.8 61.76 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.045 0 C-N-CA 125.389 1.476 . . . . 0.0 111.971 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.358 0.4 OUTLIER 71.0 -73.0 0.1 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.969 1.308 . . . . 0.0 113.833 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -148.81 25.25 0.94 Allowed 'General case' 0 CA--C 1.564 1.494 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.0 mt -69.03 -64.36 0.88 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 119.968 1.258 . . . . 0.0 109.884 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.39 -48.25 67.71 Favored Pre-proline 0 CA--C 1.574 1.893 0 CA-C-O 115.111 -2.376 . . . . 0.0 111.59 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -46.76 -53.73 5.8 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 124.132 3.221 . . . . 0.0 115.802 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.1 mt -69.82 -39.1 76.7 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 118.376 -0.821 . . . . 0.0 113.189 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.66 -25.78 66.73 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.44 -49.72 4.07 Favored Glycine 0 N--CA 1.487 2.061 0 CA-C-N 119.895 1.225 . . . . 0.0 111.51 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.3 t -53.02 -53.51 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.702 0 C-N-CA 125.427 1.491 . . . . 0.0 110.761 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -62.86 -42.39 99.74 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 37.9 ttt85 -59.44 -70.85 0.14 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.591 1.157 . . . . 0.0 112.959 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -42.6 -53.24 4.51 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 115.333 -2.27 . . . . 0.0 112.286 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -52.75 -53.2 51.26 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 125.961 2.038 . . . . 0.0 112.272 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.46 12.12 0.51 Allowed 'General case' 0 CA--C 1.596 2.721 0 CA-C-N 119.66 1.118 . . . . 0.0 112.098 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.263 28.6 mmmt 66.33 73.78 0.36 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 128.738 2.815 . . . . 0.0 105.166 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' A' ' 13' ' ' ARG 0.427 0.0 OUTLIER 52.18 27.55 4.74 Favored 'General case' 0 CA--C 1.594 2.665 0 O-C-N 124.609 1.193 . . . . 0.0 113.272 -177.849 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.446 32.7 tp 53.26 69.05 0.75 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.986 2.914 . . . . 0.0 110.902 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 N--CA 1.496 1.855 0 CA-C-N 113.789 -1.55 . . . . 0.0 113.368 178.121 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 117.438 2.384 . . . . 0.0 117.438 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.264 5.6 t 56.8 61.76 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.045 0 C-N-CA 125.389 1.476 . . . . 0.0 111.971 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.358 0.4 OUTLIER 71.0 -73.0 0.1 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.969 1.308 . . . . 0.0 113.833 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -148.81 25.25 0.94 Allowed 'General case' 0 CA--C 1.564 1.494 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.0 mt -69.03 -64.36 0.88 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 119.968 1.258 . . . . 0.0 109.884 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.39 -48.25 67.71 Favored Pre-proline 0 CA--C 1.574 1.893 0 CA-C-O 115.111 -2.376 . . . . 0.0 111.59 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -46.76 -53.73 5.8 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 124.132 3.221 . . . . 0.0 115.802 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.1 mt -69.82 -39.1 76.7 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 118.376 -0.821 . . . . 0.0 113.189 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.66 -25.78 66.73 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.44 -49.72 4.07 Favored Glycine 0 N--CA 1.487 2.061 0 CA-C-N 119.895 1.225 . . . . 0.0 111.51 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.3 t -53.02 -53.51 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.702 0 C-N-CA 125.427 1.491 . . . . 0.0 110.761 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -62.86 -42.39 99.74 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 37.9 ttt85 -59.44 -70.85 0.14 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.591 1.157 . . . . 0.0 112.959 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -42.6 -53.24 4.51 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 115.333 -2.27 . . . . 0.0 112.286 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -52.75 -53.2 51.26 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 125.961 2.038 . . . . 0.0 112.272 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.46 12.12 0.51 Allowed 'General case' 0 CA--C 1.596 2.721 0 CA-C-N 119.66 1.118 . . . . 0.0 112.098 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.263 28.6 mmmt 66.33 73.78 0.36 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 128.738 2.815 . . . . 0.0 105.166 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HA ' ' HG2' ' A' ' 13' ' ' ARG 0.427 0.0 OUTLIER 52.18 27.55 4.74 Favored 'General case' 0 CA--C 1.594 2.665 0 O-C-N 124.609 1.193 . . . . 0.0 113.272 -177.849 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.446 32.7 tp 53.26 69.05 0.75 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.986 2.914 . . . . 0.0 110.902 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 N--CA 1.496 1.855 0 CA-C-N 113.789 -1.55 . . . . 0.0 113.368 178.121 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 117.438 2.384 . . . . 0.0 117.438 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.264 5.6 t 56.8 61.76 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.045 0 C-N-CA 125.389 1.476 . . . . 0.0 111.971 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.358 0.4 OUTLIER 71.0 -73.0 0.1 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.969 1.308 . . . . 0.0 113.833 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -148.81 25.25 0.94 Allowed 'General case' 0 CA--C 1.564 1.494 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.0 mt -69.03 -64.36 0.88 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 119.968 1.258 . . . . 0.0 109.884 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.39 -48.25 67.71 Favored Pre-proline 0 CA--C 1.574 1.893 0 CA-C-O 115.111 -2.376 . . . . 0.0 111.59 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -46.76 -53.73 5.8 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 124.132 3.221 . . . . 0.0 115.802 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.1 mt -69.82 -39.1 76.7 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 118.376 -0.821 . . . . 0.0 113.189 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.66 -25.78 66.73 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.44 -49.72 4.07 Favored Glycine 0 N--CA 1.487 2.061 0 CA-C-N 119.895 1.225 . . . . 0.0 111.51 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.3 t -53.02 -53.51 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.702 0 C-N-CA 125.427 1.491 . . . . 0.0 110.761 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -62.86 -42.39 99.74 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 37.9 ttt85 -59.44 -70.85 0.14 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.591 1.157 . . . . 0.0 112.959 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -42.6 -53.24 4.51 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 115.333 -2.27 . . . . 0.0 112.286 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -52.75 -53.2 51.26 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 125.961 2.038 . . . . 0.0 112.272 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.46 12.12 0.51 Allowed 'General case' 0 CA--C 1.596 2.721 0 CA-C-N 119.66 1.118 . . . . 0.0 112.098 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.263 28.6 mmmt 66.33 73.78 0.36 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 128.738 2.815 . . . . 0.0 105.166 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HA ' ' HG2' ' A' ' 13' ' ' ARG 0.427 0.0 OUTLIER 52.18 27.55 4.74 Favored 'General case' 0 CA--C 1.594 2.665 0 O-C-N 124.609 1.193 . . . . 0.0 113.272 -177.849 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.446 32.7 tp 53.26 69.05 0.75 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.986 2.914 . . . . 0.0 110.902 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 N--CA 1.496 1.855 0 CA-C-N 113.789 -1.55 . . . . 0.0 113.368 178.121 . . . . . . . . 0 0 . 1 stop_ save_