data_1px9_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 1px9 _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 ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.649 -0.215 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 53.3 46.29 26.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.39 1.476 . . . . 0.0 111.182 -171.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -53.63 -46.39 70.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.348 1.459 . . . . 0.0 110.287 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.0 m -50.95 -16.74 0.47 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 128.42 2.688 . . . . 0.0 114.561 172.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.3 m -128.1 20.28 6.39 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.579 1.081 . . . . 0.0 112.096 178.97 -51.4 -175.854 85.3 103.249 2.03 102.534 179.751 -167.435 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.4 t -131.15 -68.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.328 0 C-N-CA 124.935 1.294 . . . . 0.0 108.724 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -101.36 -50.97 3.6 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 123.497 0.719 . . . . 0.0 110.968 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -84.33 48.64 1.53 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.375 1.07 . . . . 0.0 109.295 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -107.23 19.23 20.64 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.762 1.625 . . . . 0.0 112.718 -167.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 54.45 31.0 13.83 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.923 2.489 . . . . 0.0 115.449 158.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -103.66 -177.1 3.27 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.905 1.682 . . . . 0.0 112.38 -172.663 -115.859 -88.278 -59.502 110.631 2.007 106.914 -64.513 -42.845 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.92 172.42 6.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.476 1.51 . . . . 0.0 113.386 -174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -33.43 -48.85 0.26 Allowed 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.4 2.68 . . . . 0.0 113.12 171.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -159.55 150.08 19.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.17 1.788 . . . . 0.0 108.516 167.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.76 -148.65 18.79 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 122.239 0.911 . . . . 0.0 113.294 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -145.27 162.47 37.09 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 128.01 2.524 . . . . 0.0 107.953 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -166.13 112.53 0.87 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -169.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.99 -30.02 70.04 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.799 1.24 . . . . 0.0 113.587 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.22 -66.43 0.51 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.044 0.938 . . . . 0.0 110.734 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.5 p -58.3 -40.67 82.59 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.841 0.856 . . . . 0.0 111.691 179.711 61.303 151.238 67.645 104.257 2.016 102.731 173.726 -166.718 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.44 -63.56 0.92 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.237 1.815 . . . . 0.0 110.478 171.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.23 -38.9 82.36 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.481 0.712 . . . . 0.0 111.782 -173.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 16.9 t -53.15 -46.51 68.87 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.753 1.221 . . . . 0.0 110.998 170.8 -167.435 179.751 85.3 102.534 2.03 103.249 -175.854 -51.4 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.6 m -70.56 -30.28 66.95 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.605 1.562 . . . . 0.0 113.337 -177.673 -72.553 -177.612 80.879 105.417 2.022 103.357 177.822 -60.454 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -55.11 -50.04 70.21 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.412 1.005 . . . . 0.0 110.508 166.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -65.06 -47.96 75.49 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.189 1.395 . . . . 0.0 110.765 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.42 -32.96 28.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.432 1.493 . . . . 0.0 111.916 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.56 9.54 64.54 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.396 1.474 . . . . 0.0 113.015 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -55.71 -67.57 0.27 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 118.597 1.198 . . . . 0.0 109.18 171.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t30 166.44 -64.55 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 129.464 3.106 . . . . 0.0 106.417 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.89 -172.61 39.35 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 126.036 1.779 . . . . 0.0 109.515 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.9 161.64 18.2 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 123.982 0.801 . . . . 0.0 113.082 -171.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 m -151.76 142.77 23.11 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.221 2.208 . . . . 0.0 108.102 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.74 137.04 32.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.234 1.014 . . . . 0.0 111.31 176.318 -42.845 -64.513 -59.502 106.914 2.007 110.631 -88.278 -115.859 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptm 163.57 141.22 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 130.284 3.434 . . . . 0.0 108.529 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -96.23 -3.47 44.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 130.527 3.531 . . . . 0.0 113.634 -5.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.03 36.04 0.05 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.071 1.749 . . . . 0.0 111.046 155.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -153.35 160.41 42.66 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 128.316 2.646 . . . . 0.0 108.335 -174.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 14.9 t -93.48 125.62 38.19 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 170.467 -166.718 173.726 67.645 102.731 2.016 104.257 151.238 61.303 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -118.71 154.45 32.73 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.662 1.185 . . . . 0.0 109.221 173.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.9 m -129.96 177.96 6.89 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.007 1.323 . . . . 0.0 110.544 -174.832 -60.454 177.822 80.879 103.357 2.022 105.417 -177.612 -72.553 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 C-N-CA 125.433 1.493 . . . . 0.0 110.608 -177.476 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.649 -0.215 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 53.3 46.29 26.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.39 1.476 . . . . 0.0 111.182 -171.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -53.63 -46.39 70.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.348 1.459 . . . . 0.0 110.287 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.0 m -50.95 -16.74 0.47 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 128.42 2.688 . . . . 0.0 114.561 172.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.3 m -128.1 20.28 6.39 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.579 1.081 . . . . 0.0 112.096 178.97 -51.4 -175.854 85.3 103.249 2.03 102.534 179.751 -167.435 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.4 t -131.15 -68.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.328 0 C-N-CA 124.935 1.294 . . . . 0.0 108.724 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -101.36 -50.97 3.6 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 123.497 0.719 . . . . 0.0 110.968 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -84.33 48.64 1.53 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.375 1.07 . . . . 0.0 109.295 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -107.23 19.23 20.64 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.762 1.625 . . . . 0.0 112.718 -167.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 54.45 31.0 13.83 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.923 2.489 . . . . 0.0 115.449 158.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -103.66 -177.1 3.27 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.905 1.682 . . . . 0.0 112.38 -172.663 -115.859 -88.278 -59.502 110.631 2.007 106.914 -64.513 -42.845 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB1' ' HD3' ' A' ' 13' ' ' LYS . . . -111.92 172.42 6.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.476 1.51 . . . . 0.0 113.386 -174.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HD3' ' HB1' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -33.43 -48.85 0.26 Allowed 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.4 2.68 . . . . 0.0 113.12 171.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -159.55 150.08 19.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.17 1.788 . . . . 0.0 108.516 167.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.76 -148.65 18.79 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 122.239 0.911 . . . . 0.0 113.294 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -145.27 162.47 37.09 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 128.01 2.524 . . . . 0.0 107.953 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -166.13 112.53 0.87 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -169.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.99 -30.02 70.04 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.799 1.24 . . . . 0.0 113.587 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.22 -66.43 0.51 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.044 0.938 . . . . 0.0 110.734 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.5 p -58.3 -40.67 82.59 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.841 0.856 . . . . 0.0 111.691 179.711 61.303 151.238 67.645 104.257 2.016 102.731 173.726 -166.718 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -45.44 -63.56 0.92 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.237 1.815 . . . . 0.0 110.478 171.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.23 -38.9 82.36 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.481 0.712 . . . . 0.0 111.782 -173.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 16.9 t -53.15 -46.51 68.87 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.753 1.221 . . . . 0.0 110.998 170.8 -167.435 179.751 85.3 102.534 2.03 103.249 -175.854 -51.4 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.6 m -70.56 -30.28 66.95 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.605 1.562 . . . . 0.0 113.337 -177.673 -72.553 -177.612 80.879 105.417 2.022 103.357 177.822 -60.454 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -55.11 -50.04 70.21 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.412 1.005 . . . . 0.0 110.508 166.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -65.06 -47.96 75.49 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.189 1.395 . . . . 0.0 110.765 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.42 -32.96 28.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.432 1.493 . . . . 0.0 111.916 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.56 9.54 64.54 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.396 1.474 . . . . 0.0 113.015 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -55.71 -67.57 0.27 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 118.597 1.198 . . . . 0.0 109.18 171.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t30 166.44 -64.55 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 129.464 3.106 . . . . 0.0 106.417 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.89 -172.61 39.35 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 126.036 1.779 . . . . 0.0 109.515 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.9 161.64 18.2 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 123.982 0.801 . . . . 0.0 113.082 -171.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 m -151.76 142.77 23.11 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.221 2.208 . . . . 0.0 108.102 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.74 137.04 32.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.234 1.014 . . . . 0.0 111.31 176.318 -42.845 -64.513 -59.502 106.914 2.007 110.631 -88.278 -115.859 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptm 163.57 141.22 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 130.284 3.434 . . . . 0.0 108.529 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -96.23 -3.47 44.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 130.527 3.531 . . . . 0.0 113.634 -5.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.03 36.04 0.05 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.071 1.749 . . . . 0.0 111.046 155.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -153.35 160.41 42.66 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 128.316 2.646 . . . . 0.0 108.335 -174.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 14.9 t -93.48 125.62 38.19 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 170.467 -166.718 173.726 67.645 102.731 2.016 104.257 151.238 61.303 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -118.71 154.45 32.73 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.662 1.185 . . . . 0.0 109.221 173.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.9 m -129.96 177.96 6.89 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.007 1.323 . . . . 0.0 110.544 -174.832 -60.454 177.822 80.879 103.357 2.022 105.417 -177.612 -72.553 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 C-N-CA 125.433 1.493 . . . . 0.0 110.608 -177.476 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.649 -0.215 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 53.3 46.29 26.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.39 1.476 . . . . 0.0 111.182 -171.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -53.63 -46.39 70.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.348 1.459 . . . . 0.0 110.287 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.0 m -50.95 -16.74 0.47 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 128.42 2.688 . . . . 0.0 114.561 172.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.3 m -128.1 20.28 6.39 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.579 1.081 . . . . 0.0 112.096 178.97 -51.4 -175.854 85.3 103.249 2.03 102.534 179.751 -167.435 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.4 t -131.15 -68.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.328 0 C-N-CA 124.935 1.294 . . . . 0.0 108.724 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -101.36 -50.97 3.6 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 123.497 0.719 . . . . 0.0 110.968 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -84.33 48.64 1.53 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.375 1.07 . . . . 0.0 109.295 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -107.23 19.23 20.64 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.762 1.625 . . . . 0.0 112.718 -167.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 54.45 31.0 13.83 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.923 2.489 . . . . 0.0 115.449 158.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -103.66 -177.1 3.27 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.905 1.682 . . . . 0.0 112.38 -172.663 -115.859 -88.278 -59.502 110.631 2.007 106.914 -64.513 -42.845 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB1' ' HD3' ' A' ' 13' ' ' LYS . . . -111.92 172.42 6.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.476 1.51 . . . . 0.0 113.386 -174.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HD3' ' HB1' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -33.43 -48.85 0.26 Allowed 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.4 2.68 . . . . 0.0 113.12 171.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -159.55 150.08 19.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.17 1.788 . . . . 0.0 108.516 167.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.76 -148.65 18.79 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 122.239 0.911 . . . . 0.0 113.294 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -145.27 162.47 37.09 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 128.01 2.524 . . . . 0.0 107.953 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -166.13 112.53 0.87 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -169.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.99 -30.02 70.04 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.799 1.24 . . . . 0.0 113.587 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.22 -66.43 0.51 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.044 0.938 . . . . 0.0 110.734 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.5 p -58.3 -40.67 82.59 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.841 0.856 . . . . 0.0 111.691 179.711 61.303 151.238 67.645 104.257 2.016 102.731 173.726 -166.718 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.44 -63.56 0.92 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.237 1.815 . . . . 0.0 110.478 171.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.23 -38.9 82.36 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.481 0.712 . . . . 0.0 111.782 -173.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 16.9 t -53.15 -46.51 68.87 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.753 1.221 . . . . 0.0 110.998 170.8 -167.435 179.751 85.3 102.534 2.03 103.249 -175.854 -51.4 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.6 m -70.56 -30.28 66.95 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.605 1.562 . . . . 0.0 113.337 -177.673 -72.553 -177.612 80.879 105.417 2.022 103.357 177.822 -60.454 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -55.11 -50.04 70.21 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.412 1.005 . . . . 0.0 110.508 166.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -65.06 -47.96 75.49 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.189 1.395 . . . . 0.0 110.765 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.42 -32.96 28.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.432 1.493 . . . . 0.0 111.916 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.56 9.54 64.54 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.396 1.474 . . . . 0.0 113.015 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -55.71 -67.57 0.27 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 118.597 1.198 . . . . 0.0 109.18 171.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t30 166.44 -64.55 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 129.464 3.106 . . . . 0.0 106.417 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.89 -172.61 39.35 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 126.036 1.779 . . . . 0.0 109.515 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.9 161.64 18.2 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 123.982 0.801 . . . . 0.0 113.082 -171.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 m -151.76 142.77 23.11 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.221 2.208 . . . . 0.0 108.102 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.74 137.04 32.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.234 1.014 . . . . 0.0 111.31 176.318 -42.845 -64.513 -59.502 106.914 2.007 110.631 -88.278 -115.859 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptm 163.57 141.22 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 130.284 3.434 . . . . 0.0 108.529 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -96.23 -3.47 44.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 130.527 3.531 . . . . 0.0 113.634 -5.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.03 36.04 0.05 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.071 1.749 . . . . 0.0 111.046 155.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -153.35 160.41 42.66 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 128.316 2.646 . . . . 0.0 108.335 -174.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 14.9 t -93.48 125.62 38.19 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 170.467 -166.718 173.726 67.645 102.731 2.016 104.257 151.238 61.303 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -118.71 154.45 32.73 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.662 1.185 . . . . 0.0 109.221 173.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.9 m -129.96 177.96 6.89 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.007 1.323 . . . . 0.0 110.544 -174.832 -60.454 177.822 80.879 103.357 2.022 105.417 -177.612 -72.553 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 C-N-CA 125.433 1.493 . . . . 0.0 110.608 -177.476 . . . . . . . . 0 0 . 1 stop_ save_