data_6php_residue ############################ # Computer software used # ############################ 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 6php _Structure_validation_residue.Date_analyzed 2020-06-26 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 ' 5' ' ' THR . . . . . 0.973 ' N ' ' O ' ' A' ' 101' ' ' HOH . 8.9 t . . . . . 0 C--O 1.224 -0.27 0 N-CA-C 112.299 0.481 . . . . 59.09 112.299 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' 4BF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.7 m -59.59 -46.86 87.68 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 112.077 -2.328 . . . . 41.02 110.55 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 p -70.6 -35.45 73.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 117.869 -1.532 . . . . 51.83 110.537 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -72.5 -35.44 68.14 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 119.69 -0.804 . . . . 36.5 109.84 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -63.76 -38.41 91.02 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 117.705 -1.598 . . . . 34.28 108.342 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.3 m -63.16 -39.52 94.91 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 117.91 -1.516 . . . . 31.11 110.4 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 103' ' ' HOH . 16.3 mtpt -65.29 -35.56 81.4 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 118.464 -1.294 . . . . 36.6 110.449 -179.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 32.3 t80 -59.14 -45.71 90.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.433 0.159 . . . . 30.18 110.808 174.275 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.33 -41.31 98.88 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.69 -0.631 . . . . 24.91 109.991 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.56 -38.47 87.6 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.166 0.291 . . . . 25.68 110.518 177.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -65.65 -43.6 88.91 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.566 -0.454 . . . . 25.9 111.566 177.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 13' ' ' TYR . 77.3 mtp85 -55.74 -46.95 77.72 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.946 -0.701 . . . . 62.11 111.062 174.363 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -62.91 -41.7 99.54 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 121.289 -0.882 . . . . 63.22 110.187 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.8 -33.51 73.98 Favored 'General case' 0 C--O 1.264 1.839 0 C-N-CA 116.534 -2.066 . . . . 25.09 109.136 -175.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -62.62 -44.11 97.12 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.45 -0.795 . . . . 56.94 111.268 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.6 -42.2 87.54 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 119.112 -1.035 . . . . 86.82 110.074 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' 4BF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.45 -41.51 81.83 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 O-C-N 121.366 -0.834 . . . . 29.64 109.758 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -67.84 -39.09 83.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 118.681 -1.208 . . . . 97.41 109.467 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -62.57 -39.59 94.14 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 119.44 -0.904 . . . . 29.26 110.386 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.05 -29.32 70.21 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.141 -0.481 . . . . 26.47 110.916 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 73.3 mtm -93.1 -4.93 51.45 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 118.5 -0.762 . . . . 50.52 112.36 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 . . . . . 0 N--CA 1.475 0.824 0 CA-C-N 118.645 0.657 . . . . 90.69 112.718 -168.453 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.973 ' O ' ' N ' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . 0.542 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.973 ' N ' ' O ' ' A' ' 101' ' ' HOH . 8.9 t . . . . . 0 C--O 1.224 -0.27 0 N-CA-C 112.299 0.481 . . . . 49.24 112.299 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' 4BF . . . . . 0.41 ' N ' HG23 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.7 m -59.59 -46.86 87.68 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 112.077 -2.328 . . . . 34.18 110.55 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 p -70.6 -35.45 73.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 117.869 -1.532 . . . . 43.19 110.537 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -72.5 -35.44 68.14 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 119.69 -0.804 . . . . 34.01 109.84 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -63.76 -38.41 91.02 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 117.705 -1.598 . . . . 28.56 108.342 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.3 m -63.16 -39.52 94.91 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 117.91 -1.516 . . . . 25.92 110.4 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 103' ' ' HOH . 16.3 mtpt -65.29 -35.56 81.4 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 118.464 -1.294 . . . . 30.5 110.449 -179.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 32.3 t80 -59.14 -45.71 90.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.433 0.159 . . . . 25.15 110.808 174.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.33 -41.31 98.88 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.69 -0.631 . . . . 20.75 109.991 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.56 -38.47 87.6 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.166 0.291 . . . . 25.68 110.518 177.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -65.65 -43.6 88.91 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.566 -0.454 . . . . 21.58 111.566 177.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 13' ' ' TYR . 77.3 mtp85 -55.74 -46.95 77.72 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.946 -0.701 . . . . 51.76 111.062 174.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -62.91 -41.7 99.54 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 121.289 -0.882 . . . . 52.68 110.187 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.8 -33.51 73.98 Favored 'General case' 0 C--O 1.264 1.839 0 C-N-CA 116.534 -2.066 . . . . 21.62 109.136 -175.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -62.62 -44.11 97.12 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.45 -0.795 . . . . 47.45 111.268 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.6 -42.2 87.54 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 119.112 -1.035 . . . . 86.82 110.074 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' 4BF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.45 -41.51 81.83 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 O-C-N 121.366 -0.834 . . . . 29.64 109.758 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -67.84 -39.09 83.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 118.681 -1.208 . . . . 81.86 109.467 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -62.57 -39.59 94.14 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 119.44 -0.904 . . . . 24.38 110.386 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.05 -29.32 70.21 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.141 -0.481 . . . . 25.31 110.916 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 73.3 mtm -93.1 -4.93 51.45 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 118.5 -0.762 . . . . 45.4 112.36 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 . . . . . 0 N--CA 1.475 0.824 0 CA-C-N 118.645 0.657 . . . . 75.57 112.718 -168.453 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.973 ' O ' ' N ' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . 0.542 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.973 ' N ' ' O ' ' A' ' 101' ' ' HOH . 8.9 t . . . . . 0 C--O 1.224 -0.27 0 N-CA-C 112.299 0.481 . . . . 49.24 112.299 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' 4BF . . . . . 0.41 ' N ' HG23 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.7 m -59.59 -46.86 87.68 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 112.077 -2.328 . . . . 34.18 110.55 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 p -70.6 -35.45 73.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 117.869 -1.532 . . . . 43.19 110.537 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -72.5 -35.44 68.14 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 119.69 -0.804 . . . . 34.01 109.84 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -63.76 -38.41 91.02 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 117.705 -1.598 . . . . 28.56 108.342 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.3 m -63.16 -39.52 94.91 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 117.91 -1.516 . . . . 25.92 110.4 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 103' ' ' HOH . 16.3 mtpt -65.29 -35.56 81.4 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 118.464 -1.294 . . . . 30.5 110.449 -179.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 32.3 t80 -59.14 -45.71 90.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.433 0.159 . . . . 25.15 110.808 174.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.33 -41.31 98.88 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.69 -0.631 . . . . 20.75 109.991 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.56 -38.47 87.6 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.166 0.291 . . . . 25.68 110.518 177.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -65.65 -43.6 88.91 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.566 -0.454 . . . . 21.58 111.566 177.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 13' ' ' TYR . 77.3 mtp85 -55.74 -46.95 77.72 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.946 -0.701 . . . . 51.76 111.062 174.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -62.91 -41.7 99.54 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 121.289 -0.882 . . . . 52.68 110.187 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.8 -33.51 73.98 Favored 'General case' 0 C--O 1.264 1.839 0 C-N-CA 116.534 -2.066 . . . . 21.62 109.136 -175.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -62.62 -44.11 97.12 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.45 -0.795 . . . . 47.45 111.268 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.6 -42.2 87.54 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 119.112 -1.035 . . . . 86.82 110.074 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' 4BF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.45 -41.51 81.83 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 O-C-N 121.366 -0.834 . . . . 29.64 109.758 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -67.84 -39.09 83.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 118.681 -1.208 . . . . 81.86 109.467 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -62.57 -39.59 94.14 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 119.44 -0.904 . . . . 24.38 110.386 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.05 -29.32 70.21 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.141 -0.481 . . . . 25.31 110.916 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 73.3 mtm -93.1 -4.93 51.45 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 118.5 -0.762 . . . . 45.4 112.36 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 . . . . . 0 N--CA 1.475 0.824 0 CA-C-N 118.645 0.657 . . . . 75.57 112.718 -168.453 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.973 ' O ' ' N ' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . 0.542 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_