data_2mty_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 2mty _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' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.204 0.526 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.253 62.4 mt -73.76 -50.43 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 124.015 0.926 . . . . 0.0 112.976 -174.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.302 50.1 mtmt 59.6 29.87 19.46 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . 0.437 59.5 m80 50.74 36.36 14.11 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.1 m120 39.94 41.81 0.95 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 126.326 2.266 . . . . 0.0 114.752 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? 55.32 38.7 30.73 Favored 'General case' 0 CA--C 1.57 1.74 0 C-N-CA 124.587 1.155 . . . . 0.0 112.748 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -120.65 -55.07 2.03 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 124.131 0.973 . . . . 0.0 112.317 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.85 -27.34 63.77 Favored 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.282 6.9 t 70.57 48.66 0.44 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.706 1.602 . . . . 0.0 112.734 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 52.31 50.89 17.38 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.932 1.693 . . . . 0.0 112.285 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.4 t80 62.37 43.79 7.87 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 113.739 -1.573 . . . . 0.0 107.918 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.9 42.97 25.6 Favored 'General case' 0 CA--C 1.57 1.748 0 C-N-CA 124.226 1.01 . . . . 0.0 109.228 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.269 9.6 t 58.46 47.8 13.08 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 124.822 1.249 . . . . 0.0 110.155 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m120 60.99 34.26 19.43 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 123.583 0.753 . . . . 0.0 109.842 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.274 33.2 t80 50.88 50.07 19.82 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.259 1.424 . . . . 0.0 109.965 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.312 0.1 OUTLIER 56.11 47.43 19.62 Favored 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 125.682 1.593 . . . . 0.0 113.626 -178.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.07 93.04 0.09 OUTLIER Glycine 0 C--N 1.358 1.761 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.23 107.99 0.3 Allowed Glycine 0 CA--C 1.538 1.507 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.53 115.03 3.97 Favored Glycine 0 CA--C 1.541 1.691 0 N-CA-C 112.366 -0.294 . . . . 0.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.204 0.526 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.253 62.4 mt -73.76 -50.43 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 124.015 0.926 . . . . 0.0 112.976 -174.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.302 50.1 mtmt 59.6 29.87 19.46 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . 0.437 59.5 m80 50.74 36.36 14.11 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.1 m120 39.94 41.81 0.95 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 126.326 2.266 . . . . 0.0 114.752 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? 55.32 38.7 30.73 Favored 'General case' 0 CA--C 1.57 1.74 0 C-N-CA 124.587 1.155 . . . . 0.0 112.748 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -120.65 -55.07 2.03 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 124.131 0.973 . . . . 0.0 112.317 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.85 -27.34 63.77 Favored 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.282 6.9 t 70.57 48.66 0.44 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.706 1.602 . . . . 0.0 112.734 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 52.31 50.89 17.38 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.932 1.693 . . . . 0.0 112.285 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.4 t80 62.37 43.79 7.87 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 113.739 -1.573 . . . . 0.0 107.918 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.9 42.97 25.6 Favored 'General case' 0 CA--C 1.57 1.748 0 C-N-CA 124.226 1.01 . . . . 0.0 109.228 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.269 9.6 t 58.46 47.8 13.08 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 124.822 1.249 . . . . 0.0 110.155 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m120 60.99 34.26 19.43 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 123.583 0.753 . . . . 0.0 109.842 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.274 33.2 t80 50.88 50.07 19.82 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.259 1.424 . . . . 0.0 109.965 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.312 0.1 OUTLIER 56.11 47.43 19.62 Favored 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 125.682 1.593 . . . . 0.0 113.626 -178.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.07 93.04 0.09 OUTLIER Glycine 0 C--N 1.358 1.761 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.23 107.99 0.3 Allowed Glycine 0 CA--C 1.538 1.507 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.53 115.03 3.97 Favored Glycine 0 CA--C 1.541 1.691 0 N-CA-C 112.366 -0.294 . . . . 0.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.204 0.526 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.253 62.4 mt -73.76 -50.43 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 124.015 0.926 . . . . 0.0 112.976 -174.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.302 50.1 mtmt 59.6 29.87 19.46 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . 0.437 59.5 m80 50.74 36.36 14.11 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.1 m120 39.94 41.81 0.95 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 126.326 2.266 . . . . 0.0 114.752 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? 55.32 38.7 30.73 Favored 'General case' 0 CA--C 1.57 1.74 0 C-N-CA 124.587 1.155 . . . . 0.0 112.748 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -120.65 -55.07 2.03 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 124.131 0.973 . . . . 0.0 112.317 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.85 -27.34 63.77 Favored 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.282 6.9 t 70.57 48.66 0.44 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.706 1.602 . . . . 0.0 112.734 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 52.31 50.89 17.38 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.932 1.693 . . . . 0.0 112.285 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.4 t80 62.37 43.79 7.87 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 113.739 -1.573 . . . . 0.0 107.918 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.9 42.97 25.6 Favored 'General case' 0 CA--C 1.57 1.748 0 C-N-CA 124.226 1.01 . . . . 0.0 109.228 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.269 9.6 t 58.46 47.8 13.08 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 124.822 1.249 . . . . 0.0 110.155 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m120 60.99 34.26 19.43 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 123.583 0.753 . . . . 0.0 109.842 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.274 33.2 t80 50.88 50.07 19.82 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.259 1.424 . . . . 0.0 109.965 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.312 0.1 OUTLIER 56.11 47.43 19.62 Favored 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 125.682 1.593 . . . . 0.0 113.626 -178.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.07 93.04 0.09 OUTLIER Glycine 0 C--N 1.358 1.761 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.23 107.99 0.3 Allowed Glycine 0 CA--C 1.538 1.507 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.53 115.03 3.97 Favored Glycine 0 CA--C 1.541 1.691 0 N-CA-C 112.366 -0.294 . . . . 0.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 -179.899 . . . . . . . . 0 0 . 1 stop_ save_