data_1zdd_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 1zdd _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 ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -58.23 155.54 11.28 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.589 1.156 . . . . 0.0 110.272 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -52.5 -43.95 65.38 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.973 0.909 . . . . 0.0 112.979 -171.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -56.57 -60.03 4.14 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.012 0.525 . . . . 0.0 110.467 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.2 m -60.75 -44.15 97.08 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.174 0.99 . . . . 0.0 111.556 -178.491 -70.842 -96.405 -96.483 102.791 2.047 103.173 -98.634 -68.647 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -52.24 -51.91 55.62 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.516 1.527 . . . . 0.0 110.734 176.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -64.28 -39.16 93.36 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.929 0.891 . . . . 0.0 111.591 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -60.01 -47.27 86.54 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.294 0.497 . . . . 0.0 110.835 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -60.32 -52.85 63.49 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.219 0.463 . . . . 0.0 110.727 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -51.89 -49.64 62.59 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.325 1.05 . . . . 0.0 111.14 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -59.03 -54.73 43.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.932 0.893 . . . . 0.0 110.678 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.52 77.3 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.706 0.802 . . . . 0.0 112.164 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.05 -53.19 60.85 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.573 0.749 . . . . 0.0 109.841 173.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -89.76 55.53 3.21 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.363 0.665 . . . . 0.0 110.102 -173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -149.6 75.09 9.45 Favored Pre-proline 0 CA--C 1.535 0.396 0 C-N-CA 124.047 0.939 . . . . 0.0 109.028 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -73.27 -0.36 9.07 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.782 2.988 . . . . 0.0 113.296 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -62.95 -26.33 68.77 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 170.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -89.48 141.64 28.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 171.266 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -88.4 -174.36 4.57 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -52.95 -60.66 3.0 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.385 0.674 . . . . 0.0 111.24 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.54 -51.14 71.16 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.937 0.895 . . . . 0.0 110.997 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -58.24 -47.72 82.67 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.592 1.157 . . . . 0.0 111.43 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -67.04 -48.65 67.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.172 0.989 . . . . 0.0 110.874 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -61.15 -40.13 92.67 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.332 0.514 . . . . 0.0 110.985 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.0 97.3 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.955 0.502 . . . . 0.0 111.083 174.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.56 -51.18 70.51 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.77 0.828 . . . . 0.0 110.39 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.5 mm -54.23 -47.88 67.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.614 0.766 . . . . 0.0 110.107 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.47 -46.89 83.17 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.915 0.886 . . . . 0.0 111.208 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.9 m -62.58 -46.69 87.18 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.824 0.85 . . . . 0.0 111.089 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.02 -45.04 92.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.432 0.693 . . . . 0.0 109.248 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -66.42 -36.8 83.74 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.369 0.668 . . . . 0.0 112.219 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.66 -48.64 78.46 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.212 0.605 . . . . 0.0 110.29 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.42 -52.67 64.25 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.06 0.944 . . . . 0.0 111.4 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.99 -44.16 77.26 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.78 1.232 . . . . 0.0 111.768 -174.89 -68.647 -98.634 -96.483 103.173 2.047 102.791 -96.405 -70.842 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.088 0 O-C-N 122.048 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -58.23 155.54 11.28 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.589 1.156 . . . . 0.0 110.272 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -52.5 -43.95 65.38 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.973 0.909 . . . . 0.0 112.979 -171.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -56.57 -60.03 4.14 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.012 0.525 . . . . 0.0 110.467 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.2 m -60.75 -44.15 97.08 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.174 0.99 . . . . 0.0 111.556 -178.491 -70.842 -96.405 -96.483 102.791 2.047 103.173 -98.634 -68.647 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -52.24 -51.91 55.62 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.516 1.527 . . . . 0.0 110.734 176.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -64.28 -39.16 93.36 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.929 0.891 . . . . 0.0 111.591 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -60.01 -47.27 86.54 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.294 0.497 . . . . 0.0 110.835 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -60.32 -52.85 63.49 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.219 0.463 . . . . 0.0 110.727 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -51.89 -49.64 62.59 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.325 1.05 . . . . 0.0 111.14 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -59.03 -54.73 43.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.932 0.893 . . . . 0.0 110.678 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.52 77.3 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.706 0.802 . . . . 0.0 112.164 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.05 -53.19 60.85 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.573 0.749 . . . . 0.0 109.841 173.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -89.76 55.53 3.21 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.363 0.665 . . . . 0.0 110.102 -173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -149.6 75.09 9.45 Favored Pre-proline 0 CA--C 1.535 0.396 0 C-N-CA 124.047 0.939 . . . . 0.0 109.028 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -73.27 -0.36 9.07 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.782 2.988 . . . . 0.0 113.296 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -62.95 -26.33 68.77 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 170.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -89.48 141.64 28.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 171.266 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -88.4 -174.36 4.57 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -52.95 -60.66 3.0 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.385 0.674 . . . . 0.0 111.24 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.54 -51.14 71.16 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.937 0.895 . . . . 0.0 110.997 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -58.24 -47.72 82.67 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.592 1.157 . . . . 0.0 111.43 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -67.04 -48.65 67.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.172 0.989 . . . . 0.0 110.874 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -61.15 -40.13 92.67 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.332 0.514 . . . . 0.0 110.985 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.0 97.3 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.955 0.502 . . . . 0.0 111.083 174.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.56 -51.18 70.51 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.77 0.828 . . . . 0.0 110.39 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.5 mm -54.23 -47.88 67.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.614 0.766 . . . . 0.0 110.107 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.47 -46.89 83.17 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.915 0.886 . . . . 0.0 111.208 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.9 m -62.58 -46.69 87.18 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.824 0.85 . . . . 0.0 111.089 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.02 -45.04 92.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.432 0.693 . . . . 0.0 109.248 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -66.42 -36.8 83.74 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.369 0.668 . . . . 0.0 112.219 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.66 -48.64 78.46 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.212 0.605 . . . . 0.0 110.29 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.42 -52.67 64.25 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.06 0.944 . . . . 0.0 111.4 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.99 -44.16 77.26 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.78 1.232 . . . . 0.0 111.768 -174.89 -68.647 -98.634 -96.483 103.173 2.047 102.791 -96.405 -70.842 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.088 0 O-C-N 122.048 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -58.23 155.54 11.28 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.589 1.156 . . . . 0.0 110.272 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -52.5 -43.95 65.38 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.973 0.909 . . . . 0.0 112.979 -171.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -56.57 -60.03 4.14 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.012 0.525 . . . . 0.0 110.467 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.2 m -60.75 -44.15 97.08 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.174 0.99 . . . . 0.0 111.556 -178.491 -70.842 -96.405 -96.483 102.791 2.047 103.173 -98.634 -68.647 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -52.24 -51.91 55.62 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.516 1.527 . . . . 0.0 110.734 176.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -64.28 -39.16 93.36 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.929 0.891 . . . . 0.0 111.591 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -60.01 -47.27 86.54 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.294 0.497 . . . . 0.0 110.835 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -60.32 -52.85 63.49 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.219 0.463 . . . . 0.0 110.727 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -51.89 -49.64 62.59 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.325 1.05 . . . . 0.0 111.14 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -59.03 -54.73 43.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.932 0.893 . . . . 0.0 110.678 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.52 77.3 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.706 0.802 . . . . 0.0 112.164 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.05 -53.19 60.85 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.573 0.749 . . . . 0.0 109.841 173.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -89.76 55.53 3.21 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.363 0.665 . . . . 0.0 110.102 -173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -149.6 75.09 9.45 Favored Pre-proline 0 CA--C 1.535 0.396 0 C-N-CA 124.047 0.939 . . . . 0.0 109.028 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -73.27 -0.36 9.07 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.782 2.988 . . . . 0.0 113.296 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -62.95 -26.33 68.77 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 170.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -89.48 141.64 28.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 171.266 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -88.4 -174.36 4.57 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -52.95 -60.66 3.0 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.385 0.674 . . . . 0.0 111.24 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.54 -51.14 71.16 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.937 0.895 . . . . 0.0 110.997 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -58.24 -47.72 82.67 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.592 1.157 . . . . 0.0 111.43 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -67.04 -48.65 67.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.172 0.989 . . . . 0.0 110.874 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -61.15 -40.13 92.67 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.332 0.514 . . . . 0.0 110.985 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.0 97.3 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.955 0.502 . . . . 0.0 111.083 174.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.56 -51.18 70.51 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.77 0.828 . . . . 0.0 110.39 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.5 mm -54.23 -47.88 67.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.614 0.766 . . . . 0.0 110.107 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.47 -46.89 83.17 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.915 0.886 . . . . 0.0 111.208 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.9 m -62.58 -46.69 87.18 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.824 0.85 . . . . 0.0 111.089 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.02 -45.04 92.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.432 0.693 . . . . 0.0 109.248 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -66.42 -36.8 83.74 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.369 0.668 . . . . 0.0 112.219 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.66 -48.64 78.46 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.212 0.605 . . . . 0.0 110.29 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.42 -52.67 64.25 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.06 0.944 . . . . 0.0 111.4 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.99 -44.16 77.26 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.78 1.232 . . . . 0.0 111.768 -174.89 -68.647 -98.634 -96.483 103.173 2.047 102.791 -96.405 -70.842 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.088 0 O-C-N 122.048 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_