data_1rh4_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 1rh4 _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.359 . . . . . . . . 71.560000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -49.1 -47.91 44.87 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 114.275 1.213 . . . . 63.0 114.275 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.38 -40.45 74.61 Favored 'General case' 0 C--N 1.339 0.117 0 O-C-N 121.181 -0.95 . . . . 56.979999999999997 111.87 -179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.53 -47.19 84.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.343 0.519 . . . . 59.770000000000003 111.275 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.99 -31.93 72.82 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.051 -0.722 . . . . 47.340000000000003 109.051 -179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.88 -41.54 91.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.044 -0.724 . . . . 77.099999999999994 109.044 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' IIL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -60.09 -48.07 83.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.322 -0.399 . . . . 83.629999999999995 111.223 -178.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -43.23 92.67 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 123.938 0.895 . . . . 96.319999999999993 112.105 178.155 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -69.2 -41.56 76.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 117.881 -1.057 . . . . 47.619999999999997 112.384 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.5 -42.41 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 120.607 1.549 . . . . 34.82 109.329 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.78 79.04 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 120.963 -1.086 . . . . 31.57 110.794 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -62.08 -44.95 95.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 123.94 0.775 . . . . 31.91 110.757 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.45 -37.82 88.0 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.854 -0.529 . . . . 48.539999999999999 112.073 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 mt -59.16 -46.91 87.16 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.682 -1.261 . . . . 38.479999999999997 110.76 174.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.26 83.67 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.536 -0.727 . . . . 36.310000000000002 109.333 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -66.3 -41.56 89.58 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.197 -1.564 . . . . 76.5 109.94 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' IIL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -60.17 -52.53 64.94 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 120.224 -1.548 . . . . 58.810000000000002 110.85 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -40.49 79.39 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.648 1.113 . . . . 38.369999999999997 111.408 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -67.57 -37.59 82.85 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 120.934 -1.104 . . . . 64.670000000000002 112.559 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.8 mt -70.2 -41.71 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 107.594 -1.262 . . . . 37.020000000000003 107.594 -179.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.95 -26.94 63.4 Favored 'General case' 0 CA--C 1.511 -0.538 0 O-C-N 119.946 -1.721 . . . . 46.399999999999999 108.4 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.72 -52.98 61.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.15 -1.055 . . . . 62.030000000000001 108.15 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.66 83.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 119.744 -1.847 . . . . 50.310000000000002 111.517 179.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.46 -41.89 98.63 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 120.486 1.494 . . . . 55.640000000000001 110.479 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -66.31 -34.99 79.23 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 117.4 -1.286 . . . . 96.430000000000007 109.082 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -61.89 -39.0 90.43 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 121.82 2.1 . . . . 85.620000000000005 108.268 176.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' IIL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.5 -31.45 72.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 122.522 2.419 . . . . 145.06 109.682 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -70.27 -43.69 69.95 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.936 -0.764 . . . . 109.70999999999999 108.936 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.97 -52.56 62.69 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.771 0.714 . . . . 95.379999999999995 110.635 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.87 -48.52 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 117.616 -1.183 . . . . 78.540000000000006 113.772 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.4 92.28 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 122.338 2.336 . . . . 93.040000000000006 109.003 178.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.686 0 O-C-N 120.446 -1.409 . . . . 92.120000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' IPA . . . . . 0.585 ' HO2' ' H2 ' ' A' ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.585 ' H2 ' ' HO2' ' A' ' 203' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.359 . . . . . . . . 71.560000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -49.1 -47.91 44.87 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 114.275 1.213 . . . . 63.0 114.275 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.38 -40.45 74.61 Favored 'General case' 0 C--N 1.339 0.117 0 O-C-N 121.181 -0.95 . . . . 56.979999999999997 111.87 -179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.53 -47.19 84.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.343 0.519 . . . . 59.770000000000003 111.275 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.99 -31.93 72.82 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.051 -0.722 . . . . 47.340000000000003 109.051 -179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.88 -41.54 91.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.044 -0.724 . . . . 77.099999999999994 109.044 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' IIL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -60.09 -48.07 83.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.322 -0.399 . . . . 83.629999999999995 111.223 -178.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -43.23 92.67 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 123.938 0.895 . . . . 96.319999999999993 112.105 178.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -69.2 -41.56 76.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 117.881 -1.057 . . . . 47.619999999999997 112.384 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.5 -42.41 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 120.607 1.549 . . . . 34.82 109.329 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.78 79.04 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 120.963 -1.086 . . . . 31.57 110.794 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -62.08 -44.95 95.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 123.94 0.775 . . . . 31.91 110.757 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.45 -37.82 88.0 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.854 -0.529 . . . . 48.539999999999999 112.073 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 mt -59.16 -46.91 87.16 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.682 -1.261 . . . . 38.479999999999997 110.76 174.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.26 83.67 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.536 -0.727 . . . . 36.310000000000002 109.333 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -66.3 -41.56 89.58 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.197 -1.564 . . . . 76.5 109.94 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' IIL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -60.17 -52.53 64.94 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 120.224 -1.548 . . . . 58.810000000000002 110.85 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -40.49 79.39 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.648 1.113 . . . . 38.369999999999997 111.408 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -67.57 -37.59 82.85 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 120.934 -1.104 . . . . 64.670000000000002 112.559 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.8 mt -70.2 -41.71 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 107.594 -1.262 . . . . 37.020000000000003 107.594 -179.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.95 -26.94 63.4 Favored 'General case' 0 CA--C 1.511 -0.538 0 O-C-N 119.946 -1.721 . . . . 46.399999999999999 108.4 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.72 -52.98 61.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.15 -1.055 . . . . 62.030000000000001 108.15 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' O ' HG22 ' A' ' 28' ' ' IIL . . . -62.6 -36.66 83.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 119.744 -1.847 . . . . 50.310000000000002 111.517 179.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.46 -41.89 98.63 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 120.486 1.494 . . . . 55.640000000000001 110.479 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' NZ ' ' H11' ' A' ' 202' ' ' IPA . 78.4 mttt -66.31 -34.99 79.23 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 117.4 -1.286 . . . . 96.430000000000007 109.082 179.345 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -61.89 -39.0 90.43 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 121.82 2.1 . . . . 85.620000000000005 108.268 176.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' IIL . . . . . 0.45 HG22 ' O ' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.5 -31.45 72.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 122.522 2.419 . . . . 145.06 109.682 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -70.27 -43.69 69.95 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.936 -0.764 . . . . 109.70999999999999 108.936 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.97 -52.56 62.69 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.771 0.714 . . . . 95.379999999999995 110.635 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.87 -48.52 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 117.616 -1.183 . . . . 78.540000000000006 113.772 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.4 92.28 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 122.338 2.336 . . . . 93.040000000000006 109.003 178.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.686 0 O-C-N 120.446 -1.409 . . . . 92.120000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' IPA . . . . . 0.462 ' H11' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.359 . . . . . . . . 71.560000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -49.1 -47.91 44.87 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 114.275 1.213 . . . . 63.0 114.275 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.38 -40.45 74.61 Favored 'General case' 0 C--N 1.339 0.117 0 O-C-N 121.181 -0.95 . . . . 56.979999999999997 111.87 -179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.53 -47.19 84.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.343 0.519 . . . . 59.770000000000003 111.275 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.99 -31.93 72.82 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.051 -0.722 . . . . 47.340000000000003 109.051 -179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.88 -41.54 91.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.044 -0.724 . . . . 77.099999999999994 109.044 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' IIL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -60.09 -48.07 83.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.322 -0.399 . . . . 83.629999999999995 111.223 -178.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -43.23 92.67 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 123.938 0.895 . . . . 96.319999999999993 112.105 178.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -69.2 -41.56 76.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 117.881 -1.057 . . . . 47.619999999999997 112.384 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.5 -42.41 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 120.607 1.549 . . . . 34.82 109.329 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.78 79.04 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 120.963 -1.086 . . . . 31.57 110.794 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -62.08 -44.95 95.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 123.94 0.775 . . . . 31.91 110.757 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.45 -37.82 88.0 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.854 -0.529 . . . . 48.539999999999999 112.073 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 mt -59.16 -46.91 87.16 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.682 -1.261 . . . . 38.479999999999997 110.76 174.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.26 83.67 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.536 -0.727 . . . . 36.310000000000002 109.333 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -66.3 -41.56 89.58 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.197 -1.564 . . . . 76.5 109.94 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' IIL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -60.17 -52.53 64.94 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 120.224 -1.548 . . . . 58.810000000000002 110.85 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -40.49 79.39 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.648 1.113 . . . . 38.369999999999997 111.408 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -67.57 -37.59 82.85 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 120.934 -1.104 . . . . 64.670000000000002 112.559 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.8 mt -70.2 -41.71 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 107.594 -1.262 . . . . 37.020000000000003 107.594 -179.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.95 -26.94 63.4 Favored 'General case' 0 CA--C 1.511 -0.538 0 O-C-N 119.946 -1.721 . . . . 46.399999999999999 108.4 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.72 -52.98 61.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.15 -1.055 . . . . 62.030000000000001 108.15 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' O ' HG22 ' A' ' 28' ' ' IIL . . . -62.6 -36.66 83.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 119.744 -1.847 . . . . 50.310000000000002 111.517 179.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.46 -41.89 98.63 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 120.486 1.494 . . . . 55.640000000000001 110.479 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' NZ ' ' H11' ' A' ' 202' ' ' IPA . 78.4 mttt -66.31 -34.99 79.23 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 117.4 -1.286 . . . . 96.430000000000007 109.082 179.345 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -61.89 -39.0 90.43 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 121.82 2.1 . . . . 85.620000000000005 108.268 176.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' IIL . . . . . 0.45 HG22 ' O ' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.5 -31.45 72.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 122.522 2.419 . . . . 145.06 109.682 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -70.27 -43.69 69.95 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.936 -0.764 . . . . 109.70999999999999 108.936 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.97 -52.56 62.69 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.771 0.714 . . . . 95.379999999999995 110.635 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.87 -48.52 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 117.616 -1.183 . . . . 78.540000000000006 113.772 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.4 92.28 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 122.338 2.336 . . . . 93.040000000000006 109.003 178.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.686 0 O-C-N 120.446 -1.409 . . . . 92.120000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' IPA . . . . . 0.462 ' H11' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_