data_1sol_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 1sol _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 ' 1' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? . . . . . 0 CA--C 1.509 -0.599 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.5 m170 65.29 147.48 0.03 OUTLIER 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -169.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.45 35.36 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.293 32.3 t -88.08 -71.94 0.07 OUTLIER Pre-proline 0 C--N 1.358 0.963 0 CA-C-O 114.937 -2.459 . . . . 0.0 109.17 175.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -95.01 21.82 0.49 Allowed 'Trans proline' 0 C--N 1.366 1.471 0 CA-C-N 125.946 3.159 . . . . 0.0 116.338 -170.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.2 t30 46.87 72.97 0.2 Allowed 'General case' 0 C--N 1.351 0.642 0 CA-C-N 120.974 1.715 . . . . 0.0 115.11 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.22 -49.6 1.31 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.301 -1.333 . . . . 0.0 111.386 170.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.9 t -80.53 69.86 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-N 122.179 2.263 . . . . 0.0 106.583 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -153.5 -61.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.22 -50.9 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.298 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 167.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.05 -49.71 72.97 Favored 'General case' 0 N--CA 1.418 -2.066 0 CA-C-O 113.872 -2.966 . . . . 0.0 107.983 176.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.275 58.1 ttt180 -58.73 -44.99 90.6 Favored 'General case' 0 CA--C 1.437 -3.393 0 CA-C-N 121.858 2.117 . . . . 0.0 110.448 -169.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -54.35 -44.37 72.09 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.96 -43.41 81.58 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 167.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -62.31 -53.21 58.4 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.3 t -55.19 -50.94 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.286 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.86 -13.51 56.44 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 119.248 3.055 . . . . 0.0 119.248 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.12 21.42 13.29 Favored Glycine 0 N--CA 1.503 3.112 0 N-CA-C 117.889 1.916 . . . . 0.0 117.889 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -163.58 112.8 1.27 Allowed 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 118.839 1.319 . . . . 0.0 110.25 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.451 20.6 ptt180 . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 117.33 2.344 . . . . 0.0 117.33 -172.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? . . . . . 0 CA--C 1.509 -0.599 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.5 m170 65.29 147.48 0.03 OUTLIER 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -169.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.45 35.36 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.293 32.3 t -88.08 -71.94 0.07 OUTLIER Pre-proline 0 C--N 1.358 0.963 0 CA-C-O 114.937 -2.459 . . . . 0.0 109.17 175.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -95.01 21.82 0.49 Allowed 'Trans proline' 0 C--N 1.366 1.471 0 CA-C-N 125.946 3.159 . . . . 0.0 116.338 -170.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.2 t30 46.87 72.97 0.2 Allowed 'General case' 0 C--N 1.351 0.642 0 CA-C-N 120.974 1.715 . . . . 0.0 115.11 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.22 -49.6 1.31 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.301 -1.333 . . . . 0.0 111.386 170.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.9 t -80.53 69.86 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-N 122.179 2.263 . . . . 0.0 106.583 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -153.5 -61.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.22 -50.9 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.298 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 167.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.05 -49.71 72.97 Favored 'General case' 0 N--CA 1.418 -2.066 0 CA-C-O 113.872 -2.966 . . . . 0.0 107.983 176.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.275 58.1 ttt180 -58.73 -44.99 90.6 Favored 'General case' 0 CA--C 1.437 -3.393 0 CA-C-N 121.858 2.117 . . . . 0.0 110.448 -169.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -54.35 -44.37 72.09 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.96 -43.41 81.58 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 167.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -62.31 -53.21 58.4 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.3 t -55.19 -50.94 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.286 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.86 -13.51 56.44 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 119.248 3.055 . . . . 0.0 119.248 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.12 21.42 13.29 Favored Glycine 0 N--CA 1.503 3.112 0 N-CA-C 117.889 1.916 . . . . 0.0 117.889 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -163.58 112.8 1.27 Allowed 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 118.839 1.319 . . . . 0.0 110.25 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.451 20.6 ptt180 . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 117.33 2.344 . . . . 0.0 117.33 -172.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? . . . . . 0 CA--C 1.509 -0.599 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.5 m170 65.29 147.48 0.03 OUTLIER 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -169.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.45 35.36 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.293 32.3 t -88.08 -71.94 0.07 OUTLIER Pre-proline 0 C--N 1.358 0.963 0 CA-C-O 114.937 -2.459 . . . . 0.0 109.17 175.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -95.01 21.82 0.49 Allowed 'Trans proline' 0 C--N 1.366 1.471 0 CA-C-N 125.946 3.159 . . . . 0.0 116.338 -170.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.2 t30 46.87 72.97 0.2 Allowed 'General case' 0 C--N 1.351 0.642 0 CA-C-N 120.974 1.715 . . . . 0.0 115.11 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.22 -49.6 1.31 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.301 -1.333 . . . . 0.0 111.386 170.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.9 t -80.53 69.86 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-N 122.179 2.263 . . . . 0.0 106.583 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -153.5 -61.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.22 -50.9 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.298 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 167.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.05 -49.71 72.97 Favored 'General case' 0 N--CA 1.418 -2.066 0 CA-C-O 113.872 -2.966 . . . . 0.0 107.983 176.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.275 58.1 ttt180 -58.73 -44.99 90.6 Favored 'General case' 0 CA--C 1.437 -3.393 0 CA-C-N 121.858 2.117 . . . . 0.0 110.448 -169.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -54.35 -44.37 72.09 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.96 -43.41 81.58 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 167.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -62.31 -53.21 58.4 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.3 t -55.19 -50.94 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.286 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.86 -13.51 56.44 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 119.248 3.055 . . . . 0.0 119.248 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.12 21.42 13.29 Favored Glycine 0 N--CA 1.503 3.112 0 N-CA-C 117.889 1.916 . . . . 0.0 117.889 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -163.58 112.8 1.27 Allowed 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 118.839 1.319 . . . . 0.0 110.25 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.451 20.6 ptt180 . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 117.33 2.344 . . . . 0.0 117.33 -172.578 . . . . . . . . 1 1 . 1 stop_ save_