data_1ifp_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 1ifp _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 mtp . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 110.106 -0.331 . . . . 59.16 110.106 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -57.65 -34.37 69.28 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.331 -1.359 . . . . 34.9 107.331 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -42.19 -56.44 2.89 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.063 -1.458 . . . . 48.23 107.063 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -54.15 -57.25 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.009 -0.541 . . . . 52.46 110.95 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.9 mm -58.84 -67.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 117.426 2.38 . . . . 18.62 117.426 -176.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.9 m -53.97 -29.1 41.51 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.911 0.778 . . . . 83.82 111.567 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -85.4 -23.06 28.1 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 115.421 1.637 . . . . 45.69 115.421 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.2 t -78.17 -30.98 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 103.104 -2.924 . . . . 27.61 103.104 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -68.04 -47.23 68.96 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 124.063 0.945 . . . . 205.09 113.08 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.98 -27.73 6.9 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.223 -0.899 . . . . 2.0 112.727 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -90.16 -49.04 6.79 Favored 'General case' 0 C--O 1.198 -1.653 0 C-N-CA 123.609 0.764 . . . . 71.61 110.368 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 mt -49.78 -31.97 12.84 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 116.232 1.938 . . . . 2.0 116.232 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -81.47 -53.91 5.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 107.076 -1.453 . . . . 39.33 107.076 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.76 -36.93 17.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.515 0.931 . . . . 20.46 113.515 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.68 -28.2 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 112.714 0.635 . . . . 35.3 112.714 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -52.14 -58.05 7.76 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 121.94 0.876 . . . . 98.52 110.045 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.37 -43.04 15.8 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 113.995 -1.457 . . . . 100.5 107.251 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -61.97 -48.68 79.28 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 119.042 -1.063 . . . . 2.0 113.022 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.2 mt -56.21 -58.63 4.54 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 O-C-N 125.484 1.74 . . . . 26.58 109.234 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -57.48 -38.26 74.27 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 114.375 1.25 . . . . 24.86 114.375 179.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -64.23 -35.86 82.21 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 107.594 -1.261 . . . . 14.22 107.594 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.6 mm -72.99 -35.63 49.14 Favored 'Isoleucine or valine' 0 C--O 1.246 0.87 0 C-N-CA 119.251 -0.98 . . . . 22.38 111.733 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.61 -48.38 84.84 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 120.027 -1.082 . . . . 2.0 113.098 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.59 -51.52 37.77 Favored Glycine 0 C--N 1.351 1.366 0 CA-C-O 122.48 1.045 . . . . 18.76 110.535 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.77 -44.26 58.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.69 -0.755 . . . . 2.0 112.589 -179.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 mt -66.52 -45.73 88.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 120.251 -0.579 . . . . 2.0 110.664 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.01 -35.32 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 115.46 1.652 . . . . 29.97 115.46 -178.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.9 t -56.79 -22.89 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.518 0 N-CA-C 109.472 -0.566 . . . . 2.0 109.472 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.66 -37.17 62.8 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 124.045 0.938 . . . . 2.0 110.591 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.76 62.09 Favored 'General case' 0 C--O 1.191 -1.999 0 N-CA-C 102.586 -3.116 . . . . 9.24 102.586 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.6 -34.09 17.0 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 125.565 1.791 . . . . 2.0 111.316 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.5 t -87.55 -21.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 114.399 1.259 . . . . 2.0 114.399 177.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.13 -34.89 69.2 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 N-CA-C 105.583 -2.006 . . . . 16.01 105.583 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -10.52 59.56 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 112.776 0.658 . . . . 2.0 112.776 175.338 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.96 -61.92 2.45 Favored Glycine 0 N--CA 1.436 -1.365 0 N-CA-C 103.794 -3.723 . . . . 30.77 103.794 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.37 -31.76 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.224 1.01 . . . . 2.0 113.181 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . 0.409 61.7 mtp180 -91.98 -29.52 16.58 Favored 'General case' 0 C--N 1.319 -0.731 1 N-CA-C 123.15 4.5 . . . . 30.72 123.15 -177.978 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -32.16 73.69 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 105.832 -1.914 . . . . 2.0 105.832 178.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mt -63.6 -45.21 98.22 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.66 0 N-CA-C 114.784 1.401 . . . . 49.66 114.784 -177.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -55.62 -50.82 69.15 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.005 -0.739 . . . . 2.0 109.005 -179.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.53 -49.51 13.74 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.164 -0.926 . . . . 2.0 113.346 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -48.73 -29.39 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 115.834 1.79 . . . . 2.0 115.834 -175.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.6 -54.96 7.67 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.444 1.498 . . . . 122.81 114.421 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 C--O 1.243 0.763 0 CA-C-N 112.274 -2.239 . . . . 33.54 116.517 -177.564 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 mtp . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 110.106 -0.331 . . . . 59.159999999999997 110.106 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -57.65 -34.37 69.28 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.331 -1.359 . . . . 34.899999999999999 107.331 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -42.19 -56.44 2.89 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.063 -1.458 . . . . 48.229999999999997 107.063 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 8' ' ' VAL . 99.1 t -54.15 -57.25 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.009 -0.541 . . . . 52.460000000000001 110.95 -179.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.9 mm -58.84 -67.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 117.426 2.38 . . . . 18.620000000000001 117.426 -176.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.9 m -53.97 -29.1 41.51 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.911 0.778 . . . . 83.819999999999993 111.567 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -85.4 -23.06 28.1 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 115.421 1.637 . . . . 45.689999999999998 115.421 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 4' ' ' VAL . 86.2 t -78.17 -30.98 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 103.104 -2.924 . . . . 27.609999999999999 103.104 176.716 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -68.04 -47.23 68.96 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 124.063 0.945 . . . . 205.09 113.08 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.98 -27.73 6.9 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.223 -0.899 . . . . 2.0 112.727 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -90.16 -49.04 6.79 Favored 'General case' 0 C--O 1.198 -1.653 0 C-N-CA 123.609 0.764 . . . . 71.609999999999999 110.368 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 mt -49.78 -31.97 12.84 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 116.232 1.938 . . . . 2.0 116.232 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -81.47 -53.91 5.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 107.076 -1.453 . . . . 39.329999999999998 107.076 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.76 -36.93 17.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.515 0.931 . . . . 20.460000000000001 113.515 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.68 -28.2 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 112.714 0.635 . . . . 35.299999999999997 112.714 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -52.14 -58.05 7.76 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 121.94 0.876 . . . . 98.519999999999996 110.045 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.37 -43.04 15.8 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 113.995 -1.457 . . . . 100.5 107.251 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -61.97 -48.68 79.28 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 119.042 -1.063 . . . . 2.0 113.022 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.2 mt -56.21 -58.63 4.54 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 O-C-N 125.484 1.74 . . . . 26.579999999999998 109.234 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -57.48 -38.26 74.27 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 114.375 1.25 . . . . 24.859999999999999 114.375 179.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -64.23 -35.86 82.21 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 107.594 -1.261 . . . . 14.220000000000001 107.594 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.6 mm -72.99 -35.63 49.14 Favored 'Isoleucine or valine' 0 C--O 1.246 0.87 0 C-N-CA 119.251 -0.98 . . . . 22.379999999999999 111.733 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.61 -48.38 84.84 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 120.027 -1.082 . . . . 2.0 113.098 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.59 -51.52 37.77 Favored Glycine 0 C--N 1.351 1.366 0 CA-C-O 122.48 1.045 . . . . 18.760000000000002 110.535 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.77 -44.26 58.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.69 -0.755 . . . . 2.0 112.589 -179.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 7.4 mt -66.52 -45.73 88.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 120.251 -0.579 . . . . 2.0 110.664 179.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.01 -35.32 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 115.46 1.652 . . . . 29.969999999999999 115.46 -178.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.9 t -56.79 -22.89 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.518 0 N-CA-C 109.472 -0.566 . . . . 2.0 109.472 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.823 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.6 mm? -74.66 -37.17 62.8 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 124.045 0.938 . . . . 2.0 110.591 176.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.76 62.09 Favored 'General case' 0 C--O 1.191 -1.999 0 N-CA-C 102.586 -3.116 . . . . 9.2400000000000002 102.586 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.6 -34.09 17.0 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 125.565 1.791 . . . . 2.0 111.316 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.5 t -87.55 -21.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 114.399 1.259 . . . . 2.0 114.399 177.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 29' ' ' LEU . 58.6 t -68.13 -34.89 69.2 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 N-CA-C 105.583 -2.006 . . . . 16.010000000000002 105.583 177.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -10.52 59.56 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 112.776 0.658 . . . . 2.0 112.776 175.338 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.96 -61.92 2.45 Favored Glycine 0 N--CA 1.436 -1.365 0 N-CA-C 103.794 -3.723 . . . . 30.77 103.794 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.37 -31.76 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.224 1.01 . . . . 2.0 113.181 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . 0.409 61.7 mtp180 -91.98 -29.52 16.58 Favored 'General case' 0 C--N 1.319 -0.731 1 N-CA-C 123.15 4.5 . . . . 30.719999999999999 123.15 -177.978 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -32.16 73.69 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 105.832 -1.914 . . . . 2.0 105.832 178.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mt -63.6 -45.21 98.22 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.66 0 N-CA-C 114.784 1.401 . . . . 49.659999999999997 114.784 -177.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -55.62 -50.82 69.15 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.005 -0.739 . . . . 2.0 109.005 -179.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.53 -49.51 13.74 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.164 -0.926 . . . . 2.0 113.346 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -48.73 -29.39 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 115.834 1.79 . . . . 2.0 115.834 -175.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.6 -54.96 7.67 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.444 1.498 . . . . 122.81 114.421 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 C--O 1.243 0.763 0 CA-C-N 112.274 -2.239 . . . . 33.539999999999999 116.517 -177.564 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 mtp . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 110.106 -0.331 . . . . 59.159999999999997 110.106 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -57.65 -34.37 69.28 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.331 -1.359 . . . . 34.899999999999999 107.331 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -42.19 -56.44 2.89 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.063 -1.458 . . . . 48.229999999999997 107.063 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 8' ' ' VAL . 99.1 t -54.15 -57.25 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.009 -0.541 . . . . 52.460000000000001 110.95 -179.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.9 mm -58.84 -67.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 117.426 2.38 . . . . 18.620000000000001 117.426 -176.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.9 m -53.97 -29.1 41.51 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.911 0.778 . . . . 83.819999999999993 111.567 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -85.4 -23.06 28.1 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 115.421 1.637 . . . . 45.689999999999998 115.421 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 4' ' ' VAL . 86.2 t -78.17 -30.98 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 103.104 -2.924 . . . . 27.609999999999999 103.104 176.716 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -68.04 -47.23 68.96 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 124.063 0.945 . . . . 205.09 113.08 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.98 -27.73 6.9 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.223 -0.899 . . . . 2.0 112.727 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -90.16 -49.04 6.79 Favored 'General case' 0 C--O 1.198 -1.653 0 C-N-CA 123.609 0.764 . . . . 71.609999999999999 110.368 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 mt -49.78 -31.97 12.84 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 116.232 1.938 . . . . 2.0 116.232 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -81.47 -53.91 5.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 107.076 -1.453 . . . . 39.329999999999998 107.076 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.76 -36.93 17.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.515 0.931 . . . . 20.460000000000001 113.515 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.68 -28.2 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 112.714 0.635 . . . . 35.299999999999997 112.714 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -52.14 -58.05 7.76 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 121.94 0.876 . . . . 98.519999999999996 110.045 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.37 -43.04 15.8 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 113.995 -1.457 . . . . 100.5 107.251 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -61.97 -48.68 79.28 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 119.042 -1.063 . . . . 2.0 113.022 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.2 mt -56.21 -58.63 4.54 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 O-C-N 125.484 1.74 . . . . 26.579999999999998 109.234 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -57.48 -38.26 74.27 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 114.375 1.25 . . . . 24.859999999999999 114.375 179.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -64.23 -35.86 82.21 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 107.594 -1.261 . . . . 14.220000000000001 107.594 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.6 mm -72.99 -35.63 49.14 Favored 'Isoleucine or valine' 0 C--O 1.246 0.87 0 C-N-CA 119.251 -0.98 . . . . 22.379999999999999 111.733 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.61 -48.38 84.84 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 120.027 -1.082 . . . . 2.0 113.098 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.59 -51.52 37.77 Favored Glycine 0 C--N 1.351 1.366 0 CA-C-O 122.48 1.045 . . . . 18.760000000000002 110.535 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.77 -44.26 58.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.69 -0.755 . . . . 2.0 112.589 -179.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 7.4 mt -66.52 -45.73 88.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 120.251 -0.579 . . . . 2.0 110.664 179.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.01 -35.32 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 115.46 1.652 . . . . 29.969999999999999 115.46 -178.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.9 t -56.79 -22.89 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.518 0 N-CA-C 109.472 -0.566 . . . . 2.0 109.472 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.823 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.6 mm? -74.66 -37.17 62.8 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 124.045 0.938 . . . . 2.0 110.591 176.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.76 62.09 Favored 'General case' 0 C--O 1.191 -1.999 0 N-CA-C 102.586 -3.116 . . . . 9.2400000000000002 102.586 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.6 -34.09 17.0 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 125.565 1.791 . . . . 2.0 111.316 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.5 t -87.55 -21.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 114.399 1.259 . . . . 2.0 114.399 177.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 29' ' ' LEU . 58.6 t -68.13 -34.89 69.2 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 N-CA-C 105.583 -2.006 . . . . 16.010000000000002 105.583 177.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -10.52 59.56 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 112.776 0.658 . . . . 2.0 112.776 175.338 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.96 -61.92 2.45 Favored Glycine 0 N--CA 1.436 -1.365 0 N-CA-C 103.794 -3.723 . . . . 30.77 103.794 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.37 -31.76 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.224 1.01 . . . . 2.0 113.181 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . 0.409 61.7 mtp180 -91.98 -29.52 16.58 Favored 'General case' 0 C--N 1.319 -0.731 1 N-CA-C 123.15 4.5 . . . . 30.719999999999999 123.15 -177.978 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -32.16 73.69 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 105.832 -1.914 . . . . 2.0 105.832 178.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mt -63.6 -45.21 98.22 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.66 0 N-CA-C 114.784 1.401 . . . . 49.659999999999997 114.784 -177.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -55.62 -50.82 69.15 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.005 -0.739 . . . . 2.0 109.005 -179.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.53 -49.51 13.74 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.164 -0.926 . . . . 2.0 113.346 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -48.73 -29.39 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 115.834 1.79 . . . . 2.0 115.834 -175.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.6 -54.96 7.67 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.444 1.498 . . . . 122.81 114.421 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 C--O 1.243 0.763 0 CA-C-N 112.274 -2.239 . . . . 33.539999999999999 116.517 -177.564 . . . . . . . . 0 0 . 1 stop_ save_