data_1pan_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 1pan _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 1.234 0.266 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.15 97.76 9.8 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 124.126 0.891 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 9.8 t -108.91 152.53 24.8 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.609 0.764 . . . . 0.0 111.057 -177.74 -163.865 -121.358 -91.659 109.805 1.995 110.765 69.411 178.815 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -75.54 129.02 36.55 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.314 0.646 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.0 p -85.84 96.18 9.68 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.294 0.637 . . . . 0.0 110.785 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -146.34 82.2 1.59 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -84.39 101.76 12.23 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.695 0.76 . . . . 0.0 110.512 -173.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -132.22 167.06 24.21 Favored Pre-proline 0 CA--C 1.575 1.914 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.225 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -55.46 -40.08 87.46 Favored 'Trans proline' 0 CA--C 1.562 1.907 0 C-N-CA 123.583 2.855 . . . . 0.0 118.406 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 48.4 tpp -76.08 -21.98 56.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -79.74 149.94 30.97 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.449 1.1 . . . . 0.0 110.274 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 36.4 p -106.99 105.36 55.29 Favored Pre-proline 0 CA--C 1.568 1.644 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.75 -41.67 61.0 Favored 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 123.335 2.69 . . . . 0.0 117.689 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -71.94 114.55 10.16 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.556 0.742 . . . . 0.0 109.633 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.23 -25.63 24.38 Favored Glycine 0 CA--C 1.554 2.502 0 CA-C-O 117.805 -1.553 . . . . 0.0 115.96 -173.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 45.6 t -110.69 -86.37 0.54 Allowed 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 119.87 1.835 . . . . 0.0 107.682 176.153 178.815 69.411 -91.659 110.765 1.995 109.805 -121.358 -163.865 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.82 106.56 7.38 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 118.327 -0.844 . . . . 0.0 108.983 -177.73 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.266 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.15 97.76 9.8 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 124.126 0.891 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 9.8 t -108.91 152.53 24.8 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.609 0.764 . . . . 0.0 111.057 -177.74 -163.865 -121.358 -91.659 109.805 1.995 110.765 69.411 178.815 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -75.54 129.02 36.55 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.314 0.646 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.0 p -85.84 96.18 9.68 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.294 0.637 . . . . 0.0 110.785 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -146.34 82.2 1.59 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -84.39 101.76 12.23 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.695 0.76 . . . . 0.0 110.512 -173.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -132.22 167.06 24.21 Favored Pre-proline 0 CA--C 1.575 1.914 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.225 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -55.46 -40.08 87.46 Favored 'Trans proline' 0 CA--C 1.562 1.907 0 C-N-CA 123.583 2.855 . . . . 0.0 118.406 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 48.4 tpp -76.08 -21.98 56.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -79.74 149.94 30.97 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.449 1.1 . . . . 0.0 110.274 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 36.4 p -106.99 105.36 55.29 Favored Pre-proline 0 CA--C 1.568 1.644 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.75 -41.67 61.0 Favored 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 123.335 2.69 . . . . 0.0 117.689 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -71.94 114.55 10.16 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.556 0.742 . . . . 0.0 109.633 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.23 -25.63 24.38 Favored Glycine 0 CA--C 1.554 2.502 0 CA-C-O 117.805 -1.553 . . . . 0.0 115.96 -173.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 45.6 t -110.69 -86.37 0.54 Allowed 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 119.87 1.835 . . . . 0.0 107.682 176.153 178.815 69.411 -91.659 110.765 1.995 109.805 -121.358 -163.865 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.82 106.56 7.38 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 118.327 -0.844 . . . . 0.0 108.983 -177.73 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.266 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.15 97.76 9.8 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 124.126 0.891 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 9.8 t -108.91 152.53 24.8 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.609 0.764 . . . . 0.0 111.057 -177.74 -163.865 -121.358 -91.659 109.805 1.995 110.765 69.411 178.815 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -75.54 129.02 36.55 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.314 0.646 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.0 p -85.84 96.18 9.68 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.294 0.637 . . . . 0.0 110.785 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -146.34 82.2 1.59 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -84.39 101.76 12.23 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.695 0.76 . . . . 0.0 110.512 -173.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -132.22 167.06 24.21 Favored Pre-proline 0 CA--C 1.575 1.914 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.225 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -55.46 -40.08 87.46 Favored 'Trans proline' 0 CA--C 1.562 1.907 0 C-N-CA 123.583 2.855 . . . . 0.0 118.406 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 48.4 tpp -76.08 -21.98 56.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -79.74 149.94 30.97 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.449 1.1 . . . . 0.0 110.274 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 36.4 p -106.99 105.36 55.29 Favored Pre-proline 0 CA--C 1.568 1.644 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.75 -41.67 61.0 Favored 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 123.335 2.69 . . . . 0.0 117.689 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -71.94 114.55 10.16 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.556 0.742 . . . . 0.0 109.633 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.23 -25.63 24.38 Favored Glycine 0 CA--C 1.554 2.502 0 CA-C-O 117.805 -1.553 . . . . 0.0 115.96 -173.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 45.6 t -110.69 -86.37 0.54 Allowed 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 119.87 1.835 . . . . 0.0 107.682 176.153 178.815 69.411 -91.659 110.765 1.995 109.805 -121.358 -163.865 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.82 106.56 7.38 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 118.327 -0.844 . . . . 0.0 108.983 -177.73 . . . . . . . . 0 0 . 1 stop_ save_