data_1foz_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 1foz _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 core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.371 . . . . . . . 0 CA--C 1.573 1.851 0 CA-C-O 123.202 1.477 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp -87.23 -36.91 17.7 Favored 'General case' 0 CA--C 1.579 2.078 0 C-N-CA 126.795 2.038 . . . . 0.0 113.133 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 158.67 76.52 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.548 1 N-CA-C 96.529 -5.36 . . . . 0.0 96.529 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -86.17 107.1 17.73 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 119.516 3.154 . . . . 0.0 119.516 -173.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.61 -30.23 17.3 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.921 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.254 1.342 0 C-N-CA 128.376 2.67 . . . . 0.0 113.834 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.365 . . . . . . . 0 CA--C 1.573 1.841 0 CA-C-O 123.244 1.497 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 pp -86.28 -37.68 18.31 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 126.748 2.019 . . . . 0.0 112.674 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 160.37 75.62 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.557 1 N-CA-C 97.063 -5.162 . . . . 0.0 97.063 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.335 0.0 OUTLIER -84.77 106.34 16.23 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 119.018 2.97 . . . . 0.0 119.018 -174.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.08 -30.11 17.91 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 113.136 -1.847 . . . . 0.0 110.024 173.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.495 2.718 . . . . 0.0 113.772 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.354 . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.04 -36.81 61.83 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t70 159.1 79.5 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.636 1 N-CA-C 95.598 -5.704 . . . . 0.0 95.598 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -86.67 117.11 25.22 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -89.46 -27.31 20.45 Favored 'General case' 0 CA--C 1.588 2.438 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.499 171.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.481 1.077 0 C-N-CA 128.438 2.695 . . . . 0.0 112.206 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.514 0.5 OUTLIER 71.66 171.73 0.31 Allowed 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.371 . . 71.91 54.38 0.19 Allowed 'General case' 0 CA--C 1.573 1.851 0 CA-C-O 123.202 1.477 . . . . 0.0 110.992 -174.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp -87.23 -36.91 17.7 Favored 'General case' 0 CA--C 1.579 2.078 0 C-N-CA 126.795 2.038 . . . . 0.0 113.133 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 158.67 76.52 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.548 1 N-CA-C 96.529 -5.36 . . . . 0.0 96.529 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -86.17 107.1 17.73 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 119.516 3.154 . . . . 0.0 119.516 -173.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.61 -30.23 17.3 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.921 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.254 1.342 0 C-N-CA 128.376 2.67 . . . . 0.0 113.834 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.522 0.6 OUTLIER 72.12 172.71 0.31 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 116.67 2.1 . . . . 0.0 116.67 . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.365 . . 72.31 53.44 0.17 Allowed 'General case' 0 CA--C 1.573 1.841 0 CA-C-O 123.244 1.497 . . . . 0.0 111.324 -174.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 pp -86.28 -37.68 18.31 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 126.748 2.019 . . . . 0.0 112.674 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 160.37 75.62 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.557 1 N-CA-C 97.063 -5.162 . . . . 0.0 97.063 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.335 0.0 OUTLIER -84.77 106.34 16.23 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 119.018 2.97 . . . . 0.0 119.018 -174.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.08 -30.11 17.91 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 113.136 -1.847 . . . . 0.0 110.024 173.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.495 2.718 . . . . 0.0 113.772 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.226 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -67.52 -52.81 34.49 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.354 . . 61.8 55.1 2.72 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.04 -36.81 61.83 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t70 159.1 79.5 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.636 1 N-CA-C 95.598 -5.704 . . . . 0.0 95.598 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -86.67 117.11 25.22 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -89.46 -27.31 20.45 Favored 'General case' 0 CA--C 1.588 2.438 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.499 171.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.481 1.077 0 C-N-CA 128.438 2.695 . . . . 0.0 112.206 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.371 . . . . . . . 0 CA--C 1.573 1.851 0 CA-C-O 123.202 1.477 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp -87.23 -36.91 17.7 Favored 'General case' 0 CA--C 1.579 2.078 0 C-N-CA 126.795 2.038 . . . . 0.0 113.133 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 158.67 76.52 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.548 1 N-CA-C 96.529 -5.36 . . . . 0.0 96.529 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -86.17 107.1 17.73 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 119.516 3.154 . . . . 0.0 119.516 -173.498 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.61 -30.23 17.3 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.921 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.254 1.342 0 C-N-CA 128.376 2.67 . . . . 0.0 113.834 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.365 . . . . . . . 0 CA--C 1.573 1.841 0 CA-C-O 123.244 1.497 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 pp -86.28 -37.68 18.31 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 126.748 2.019 . . . . 0.0 112.674 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 160.37 75.62 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.557 1 N-CA-C 97.063 -5.162 . . . . 0.0 97.063 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.335 0.0 OUTLIER -84.77 106.34 16.23 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 119.018 2.97 . . . . 0.0 119.018 -174.324 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.08 -30.11 17.91 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 113.136 -1.847 . . . . 0.0 110.024 173.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.495 2.718 . . . . 0.0 113.772 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.354 . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.04 -36.81 61.83 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t70 159.1 79.5 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.636 1 N-CA-C 95.598 -5.704 . . . . 0.0 95.598 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -86.67 117.11 25.22 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -89.46 -27.31 20.45 Favored 'General case' 0 CA--C 1.588 2.438 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.499 171.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.481 1.077 0 C-N-CA 128.438 2.695 . . . . 0.0 112.206 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.514 0.5 OUTLIER 71.66 171.73 0.31 Allowed 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.371 . . 71.91 54.38 0.19 Allowed 'General case' 0 CA--C 1.573 1.851 0 CA-C-O 123.202 1.477 . . . . 0.0 110.992 -174.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp -87.23 -36.91 17.7 Favored 'General case' 0 CA--C 1.579 2.078 0 C-N-CA 126.795 2.038 . . . . 0.0 113.133 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 158.67 76.52 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.548 1 N-CA-C 96.529 -5.36 . . . . 0.0 96.529 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -86.17 107.1 17.73 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 119.516 3.154 . . . . 0.0 119.516 -173.498 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.61 -30.23 17.3 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.921 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.254 1.342 0 C-N-CA 128.376 2.67 . . . . 0.0 113.834 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.522 0.6 OUTLIER 72.12 172.71 0.31 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 116.67 2.1 . . . . 0.0 116.67 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.365 . . 72.31 53.44 0.17 Allowed 'General case' 0 CA--C 1.573 1.841 0 CA-C-O 123.244 1.497 . . . . 0.0 111.324 -174.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 pp -86.28 -37.68 18.31 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 126.748 2.019 . . . . 0.0 112.674 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 160.37 75.62 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.557 1 N-CA-C 97.063 -5.162 . . . . 0.0 97.063 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.335 0.0 OUTLIER -84.77 106.34 16.23 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 119.018 2.97 . . . . 0.0 119.018 -174.324 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.08 -30.11 17.91 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 113.136 -1.847 . . . . 0.0 110.024 173.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.495 2.718 . . . . 0.0 113.772 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.226 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -67.52 -52.81 34.49 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.354 . . 61.8 55.1 2.72 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.04 -36.81 61.83 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t70 159.1 79.5 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.636 1 N-CA-C 95.598 -5.704 . . . . 0.0 95.598 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -86.67 117.11 25.22 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -89.46 -27.31 20.45 Favored 'General case' 0 CA--C 1.588 2.438 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.499 171.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.481 1.077 0 C-N-CA 128.438 2.695 . . . . 0.0 112.206 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.371 . . . . . . . 0 CA--C 1.573 1.851 0 CA-C-O 123.202 1.477 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp -87.23 -36.91 17.7 Favored 'General case' 0 CA--C 1.579 2.078 0 C-N-CA 126.795 2.038 . . . . 0.0 113.133 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 158.67 76.52 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.548 1 N-CA-C 96.529 -5.36 . . . . 0.0 96.529 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -86.17 107.1 17.73 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 119.516 3.154 . . . . 0.0 119.516 -173.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.61 -30.23 17.3 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.921 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.254 1.342 0 C-N-CA 128.376 2.67 . . . . 0.0 113.834 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.365 . . . . . . . 0 CA--C 1.573 1.841 0 CA-C-O 123.244 1.497 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 pp -86.28 -37.68 18.31 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 126.748 2.019 . . . . 0.0 112.674 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 160.37 75.62 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.557 1 N-CA-C 97.063 -5.162 . . . . 0.0 97.063 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.335 0.0 OUTLIER -84.77 106.34 16.23 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 119.018 2.97 . . . . 0.0 119.018 -174.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.08 -30.11 17.91 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 113.136 -1.847 . . . . 0.0 110.024 173.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.495 2.718 . . . . 0.0 113.772 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.354 . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.04 -36.81 61.83 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t70 159.1 79.5 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.636 1 N-CA-C 95.598 -5.704 . . . . 0.0 95.598 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -86.67 117.11 25.22 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -89.46 -27.31 20.45 Favored 'General case' 0 CA--C 1.588 2.438 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.499 171.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.481 1.077 0 C-N-CA 128.438 2.695 . . . . 0.0 112.206 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.514 0.5 OUTLIER 71.66 171.73 0.31 Allowed 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.371 . . 71.91 54.38 0.19 Allowed 'General case' 0 CA--C 1.573 1.851 0 CA-C-O 123.202 1.477 . . . . 0.0 110.992 -174.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp -87.23 -36.91 17.7 Favored 'General case' 0 CA--C 1.579 2.078 0 C-N-CA 126.795 2.038 . . . . 0.0 113.133 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 158.67 76.52 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.548 1 N-CA-C 96.529 -5.36 . . . . 0.0 96.529 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -86.17 107.1 17.73 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 119.516 3.154 . . . . 0.0 119.516 -173.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.61 -30.23 17.3 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.921 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.254 1.342 0 C-N-CA 128.376 2.67 . . . . 0.0 113.834 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.522 0.6 OUTLIER 72.12 172.71 0.31 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 116.67 2.1 . . . . 0.0 116.67 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.365 . . 72.31 53.44 0.17 Allowed 'General case' 0 CA--C 1.573 1.841 0 CA-C-O 123.244 1.497 . . . . 0.0 111.324 -174.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 pp -86.28 -37.68 18.31 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 126.748 2.019 . . . . 0.0 112.674 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 t70 160.37 75.62 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.557 1 N-CA-C 97.063 -5.162 . . . . 0.0 97.063 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.335 0.0 OUTLIER -84.77 106.34 16.23 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 119.018 2.97 . . . . 0.0 119.018 -174.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.08 -30.11 17.91 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 113.136 -1.847 . . . . 0.0 110.024 173.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.495 2.718 . . . . 0.0 113.772 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.226 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -67.52 -52.81 34.49 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.354 . . 61.8 55.1 2.72 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.04 -36.81 61.83 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t70 159.1 79.5 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.636 1 N-CA-C 95.598 -5.704 . . . . 0.0 95.598 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -86.67 117.11 25.22 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -89.46 -27.31 20.45 Favored 'General case' 0 CA--C 1.588 2.438 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.499 171.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.481 1.077 0 C-N-CA 128.438 2.695 . . . . 0.0 112.206 -179.953 . . . . . . . . 0 0 . 1 stop_ save_