data_1pak_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 1pak _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 127' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.65 133.56 36.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 123.978 0.799 . . . . 0.0 109.797 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 13.6 m -69.56 -64.76 0.82 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 179.351 -82.449 46.07 -93.25 112.751 2.005 109.606 -146.115 -170.789 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 30.5 p -87.91 115.08 25.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 168.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.9 p -76.92 -52.13 9.98 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 168.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.18 -102.71 0.42 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -115.24 74.39 0.88 Allowed 'General case' 0 CA--C 1.561 1.375 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 164.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.85 82.61 1.72 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.905 0.859 . . . . 0.0 108.711 -175.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -92.15 -40.26 11.12 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 118.305 -0.855 . . . . 0.0 113.261 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -87.22 20.5 2.74 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 164.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -146.42 123.27 11.3 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 165.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.44 156.55 45.74 Favored Pre-proline 0 CA--C 1.583 2.239 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 151.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.68 174.57 12.44 Favored 'Trans proline' 0 CA--C 1.559 1.738 0 C-N-CA 123.809 3.006 . . . . 0.0 115.531 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -85.85 76.31 9.91 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 122.935 1.35 . . . . 0.0 108.173 159.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -179.11 -45.09 0.08 OUTLIER Glycine 0 N--CA 1.482 1.728 0 CA-C-N 113.633 -1.621 . . . . 0.0 116.195 -163.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.4 -84.84 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.616 0.766 . . . . 0.0 111.063 176.645 -170.789 -146.115 -93.25 109.606 2.005 112.751 46.07 -82.449 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 87.7 p -114.02 107.57 15.85 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 124.022 0.929 . . . . 0.0 108.574 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 124.328 2.013 . . . . 0.0 109.6 -175.323 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ' OH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.65 133.56 36.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 123.978 0.799 . . . . 0.0 109.797 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 13.6 m -69.56 -64.76 0.82 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 179.351 -82.449 46.07 -93.25 112.751 2.005 109.606 -146.115 -170.789 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 30.5 p -87.91 115.08 25.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 168.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.9 p -76.92 -52.13 9.98 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 168.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.18 -102.71 0.42 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -115.24 74.39 0.88 Allowed 'General case' 0 CA--C 1.561 1.375 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 164.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.85 82.61 1.72 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.905 0.859 . . . . 0.0 108.711 -175.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -92.15 -40.26 11.12 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 118.305 -0.855 . . . . 0.0 113.261 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -87.22 20.5 2.74 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 164.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -146.42 123.27 11.3 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 165.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.44 156.55 45.74 Favored Pre-proline 0 CA--C 1.583 2.239 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 151.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.68 174.57 12.44 Favored 'Trans proline' 0 CA--C 1.559 1.738 0 C-N-CA 123.809 3.006 . . . . 0.0 115.531 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -85.85 76.31 9.91 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 122.935 1.35 . . . . 0.0 108.173 159.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -179.11 -45.09 0.08 OUTLIER Glycine 0 N--CA 1.482 1.728 0 CA-C-N 113.633 -1.621 . . . . 0.0 116.195 -163.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.4 -84.84 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.616 0.766 . . . . 0.0 111.063 176.645 -170.789 -146.115 -93.25 109.606 2.005 112.751 46.07 -82.449 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 87.7 p -114.02 107.57 15.85 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 124.022 0.929 . . . . 0.0 108.574 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 124.328 2.013 . . . . 0.0 109.6 -175.323 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ' OH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.65 133.56 36.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 123.978 0.799 . . . . 0.0 109.797 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 13.6 m -69.56 -64.76 0.82 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 179.351 -82.449 46.07 -93.25 112.751 2.005 109.606 -146.115 -170.789 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 30.5 p -87.91 115.08 25.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 168.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.9 p -76.92 -52.13 9.98 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 168.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.18 -102.71 0.42 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -115.24 74.39 0.88 Allowed 'General case' 0 CA--C 1.561 1.375 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 164.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.85 82.61 1.72 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.905 0.859 . . . . 0.0 108.711 -175.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -92.15 -40.26 11.12 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 118.305 -0.855 . . . . 0.0 113.261 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -87.22 20.5 2.74 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 164.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -146.42 123.27 11.3 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 165.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.44 156.55 45.74 Favored Pre-proline 0 CA--C 1.583 2.239 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 151.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.68 174.57 12.44 Favored 'Trans proline' 0 CA--C 1.559 1.738 0 C-N-CA 123.809 3.006 . . . . 0.0 115.531 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -85.85 76.31 9.91 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 122.935 1.35 . . . . 0.0 108.173 159.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -179.11 -45.09 0.08 OUTLIER Glycine 0 N--CA 1.482 1.728 0 CA-C-N 113.633 -1.621 . . . . 0.0 116.195 -163.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.4 -84.84 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.616 0.766 . . . . 0.0 111.063 176.645 -170.789 -146.115 -93.25 109.606 2.005 112.751 46.07 -82.449 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 87.7 p -114.02 107.57 15.85 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 124.022 0.929 . . . . 0.0 108.574 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 124.328 2.013 . . . . 0.0 109.6 -175.323 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ' OH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_