data_2esx_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 2esx _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 3' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.892 0.377 . . . . 5.36 110.123 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -134.9 -56.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 7.79 111.398 -179.079 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 1.9 mttp 168.18 179.96 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.032 0.444 . . . . 4.74 111.047 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -149.15 82.54 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.854 -0.612 . . . . 3.11 110.521 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -102.13 123.47 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.076 0.465 . . . . 3.03 111.49 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.23 71.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 4.57 110.767 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.8 mt -100.85 138.27 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 4.63 111.198 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.03 -92.91 1.02 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.804 -0.712 . . . . 5.69 112.317 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.18 -23.7 37.8 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.519 2.146 . . . . 7.27 112.289 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.01 12.24 16.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.813 -0.708 . . . . 6.46 112.72 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -115.03 -26.08 7.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.66 0.266 . . . . 9.74 111.127 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.91 93.19 9.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.478 -0.328 . . . . 4.56 111.237 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.16 79.56 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 5.74 110.836 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -90.0 108.06 19.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 5.24 110.994 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -115.26 100.89 8.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.994 -0.548 . . . . 4.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.9 p -116.27 135.92 53.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 4.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.82 136.17 46.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 4.85 112.551 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HB2' ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -92.46 53.25 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.012 0.434 . . . . 6.21 110.803 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 6.18 110.959 179.877 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.892 0.377 . . . . 4.93 110.123 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -134.9 -56.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 7.12 111.398 -179.079 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 1.9 mttp 168.18 179.96 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.032 0.444 . . . . 4.32 111.047 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -149.15 82.54 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.854 -0.612 . . . . 2.84 110.521 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.469 HG22 HG13 ' A' ' 9' ' ' ILE . 42.8 mm -102.13 123.47 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.076 0.465 . . . . 2.64 111.49 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.23 71.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 3.97 110.767 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 7' ' ' ILE . 18.8 mt -100.85 138.27 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 4.45 111.198 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.03 -92.91 1.02 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.804 -0.712 . . . . 5.69 112.317 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.18 -23.7 37.8 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.519 2.146 . . . . 6.84 112.289 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.01 12.24 16.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.813 -0.708 . . . . 6.46 112.72 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -115.03 -26.08 7.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.66 0.266 . . . . 9.16 111.127 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.91 93.19 9.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.478 -0.328 . . . . 4.51 111.237 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.16 79.56 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 5.13 110.836 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -90.0 108.06 19.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 5.05 110.994 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -115.26 100.89 8.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.994 -0.548 . . . . 3.72 110.877 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.9 p -116.27 135.92 53.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 3.69 110.898 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.82 136.17 46.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 4.4 112.551 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HB2' ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -92.46 53.25 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.012 0.434 . . . . 6.21 110.803 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 5.8 110.959 179.877 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.892 0.377 . . . . 4.9299999999999997 110.123 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -134.9 -56.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 7.1200000000000001 111.398 -179.079 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 1.9 mttp 168.18 179.96 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.032 0.444 . . . . 4.3200000000000003 111.047 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -149.15 82.54 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.854 -0.612 . . . . 2.8399999999999999 110.521 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.469 HG22 HG13 ' A' ' 9' ' ' ILE . 42.8 mm -102.13 123.47 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.076 0.465 . . . . 2.6400000000000001 111.49 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.23 71.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 3.9700000000000002 110.767 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 7' ' ' ILE . 18.8 mt -100.85 138.27 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 4.4500000000000002 111.198 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.03 -92.91 1.02 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.804 -0.712 . . . . 5.6900000000000004 112.317 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.18 -23.7 37.8 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.519 2.146 . . . . 6.8399999999999999 112.289 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.01 12.24 16.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.813 -0.708 . . . . 6.46 112.72 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -115.03 -26.08 7.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.66 0.266 . . . . 9.1600000000000001 111.127 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.91 93.19 9.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.478 -0.328 . . . . 4.5099999999999998 111.237 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.16 79.56 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 5.1299999999999999 110.836 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -90.0 108.06 19.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 5.0499999999999998 110.994 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -115.26 100.89 8.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.994 -0.548 . . . . 3.7200000000000002 110.877 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.9 p -116.27 135.92 53.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 3.6899999999999999 110.898 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.82 136.17 46.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 4.4000000000000004 112.551 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HB2' ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -92.46 53.25 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.012 0.434 . . . . 6.21 110.803 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 5.7999999999999998 110.959 179.877 . . . . . . . . 0 0 . 1 stop_ save_