data_2mtw_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 2mtw _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 . . . . . . . . . . . . . 71.0 t80 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.3 m -77.32 -71.36 0.41 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.875 0.87 . . . . 0.0 111.918 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 m120 67.6 69.34 0.36 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 124.809 1.244 . . . . 0.0 111.71 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -90.09 -65.47 1.01 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.01 0.924 . . . . 0.0 110.257 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.18 -37.13 80.63 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.31 -46.18 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.693 0 C-N-CA 124.002 0.921 . . . . 0.0 111.114 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.61 -36.99 79.41 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -63.07 -35.53 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-N 120.791 1.632 . . . . 0.0 113.57 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -69.46 -45.22 69.55 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.792 0.837 . . . . 0.0 110.687 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -58.64 -38.03 77.21 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.469 0.708 . . . . 0.0 111.852 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.52 -42.57 74.52 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.518 1.127 . . . . 0.0 113.222 177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 tpp85 -60.68 -46.05 91.83 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.696 0.68 . . . . 0.0 111.318 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.13 -41.85 93.57 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 124.108 0.963 . . . . 0.0 112.188 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.66 -40.17 86.84 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 123.774 0.83 . . . . 0.0 112.345 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -123.2 50.74 1.52 Allowed 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -78.44 141.18 38.47 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.831 1.3 . . . . 0.0 112.075 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -96.44 -70.66 0.71 Allowed 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 113.012 -1.904 . . . . 0.0 109.565 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.27 -106.45 0.2 Allowed Glycine 0 CA--C 1.536 1.354 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -87.92 110.88 20.89 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.7 m80 . . . . . 0 CA--C 1.552 1.039 0 CA-C-O 122.032 0.92 . . . . 0.0 109.693 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.0 t80 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.3 m -77.32 -71.36 0.41 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.875 0.87 . . . . 0.0 111.918 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 m120 67.6 69.34 0.36 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 124.809 1.244 . . . . 0.0 111.71 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -90.09 -65.47 1.01 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.01 0.924 . . . . 0.0 110.257 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.18 -37.13 80.63 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.31 -46.18 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.693 0 C-N-CA 124.002 0.921 . . . . 0.0 111.114 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.61 -36.99 79.41 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -63.07 -35.53 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-N 120.791 1.632 . . . . 0.0 113.57 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -69.46 -45.22 69.55 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.792 0.837 . . . . 0.0 110.687 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -58.64 -38.03 77.21 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.469 0.708 . . . . 0.0 111.852 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.52 -42.57 74.52 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.518 1.127 . . . . 0.0 113.222 177.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 tpp85 -60.68 -46.05 91.83 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.696 0.68 . . . . 0.0 111.318 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.13 -41.85 93.57 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 124.108 0.963 . . . . 0.0 112.188 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.66 -40.17 86.84 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 123.774 0.83 . . . . 0.0 112.345 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -123.2 50.74 1.52 Allowed 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -78.44 141.18 38.47 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.831 1.3 . . . . 0.0 112.075 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -96.44 -70.66 0.71 Allowed 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 113.012 -1.904 . . . . 0.0 109.565 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.27 -106.45 0.2 Allowed Glycine 0 CA--C 1.536 1.354 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -87.92 110.88 20.89 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.7 m80 . . . . . 0 CA--C 1.552 1.039 0 CA-C-O 122.032 0.92 . . . . 0.0 109.693 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.0 t80 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.3 m -77.32 -71.36 0.41 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.875 0.87 . . . . 0.0 111.918 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 m120 67.6 69.34 0.36 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 124.809 1.244 . . . . 0.0 111.71 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -90.09 -65.47 1.01 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.01 0.924 . . . . 0.0 110.257 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.18 -37.13 80.63 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.31 -46.18 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.693 0 C-N-CA 124.002 0.921 . . . . 0.0 111.114 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.61 -36.99 79.41 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -63.07 -35.53 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-N 120.791 1.632 . . . . 0.0 113.57 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -69.46 -45.22 69.55 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.792 0.837 . . . . 0.0 110.687 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -58.64 -38.03 77.21 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.469 0.708 . . . . 0.0 111.852 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.52 -42.57 74.52 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.518 1.127 . . . . 0.0 113.222 177.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 tpp85 -60.68 -46.05 91.83 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.696 0.68 . . . . 0.0 111.318 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.13 -41.85 93.57 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 124.108 0.963 . . . . 0.0 112.188 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.66 -40.17 86.84 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 123.774 0.83 . . . . 0.0 112.345 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -123.2 50.74 1.52 Allowed 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -78.44 141.18 38.47 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.831 1.3 . . . . 0.0 112.075 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -96.44 -70.66 0.71 Allowed 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 113.012 -1.904 . . . . 0.0 109.565 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.27 -106.45 0.2 Allowed Glycine 0 CA--C 1.536 1.354 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -87.92 110.88 20.89 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.7 m80 . . . . . 0 CA--C 1.552 1.039 0 CA-C-O 122.032 0.92 . . . . 0.0 109.693 -179.869 . . . . . . . . 0 0 . 1 stop_ save_