data_6gq5_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 6gq5 _Structure_validation_residue.Date_analyzed 2019-06-14 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 . . . . . . . . . . . . . 33.9 mmt . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 117.085 2.254 . . . . 24.88 117.085 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -37.05 85.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.089 -1.044 . . . . 27.72 112.21 -177.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.27 -46.9 88.21 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 121.854 0.835 . . . . 14.84 110.066 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.98 -45.03 99.92 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.519 0 O-C-N 121.211 -0.931 . . . . 16.06 110.579 179.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.81 96.08 Favored 'General case' 0 C--O 1.288 3.105 0 C-N-CA 115.889 -2.325 . . . . 12.88 112.181 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -63.39 -38.0 89.47 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.15 -0.62 . . . . 24.77 111.036 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.9 -43.71 82.68 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.239 -1.023 . . . . 13.97 108.239 -177.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -66.42 -39.88 89.2 Favored 'General case' 0 CA--C 1.489 -1.365 0 C-N-CA 118.141 -1.424 . . . . 12.98 112.141 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -63.52 -36.87 85.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 118.389 -1.324 . . . . 27.14 111.161 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -67.39 -46.43 73.29 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-O 118.546 -0.74 . . . . 12.41 109.233 -176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -65.47 -40.12 92.78 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 119.146 0.884 . . . . 16.13 112.016 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.48 -42.47 95.87 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 119.065 -1.054 . . . . 24.2 112.483 175.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -59.45 -41.95 90.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 119.303 -0.38 . . . . 23.21 111.514 174.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -71.85 -39.07 69.95 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 120.503 -1.373 . . . . 19.15 110.432 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.38 -42.57 87.35 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-O 122.475 1.131 . . . . 16.67 112.49 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.34 91.79 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.741 -1.118 . . . . 17.0 110.727 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -69.67 -41.33 75.64 Favored 'General case' 0 C--O 1.257 1.457 0 CA-C-N 119.296 1.548 . . . . 31.92 112.406 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -69.16 -42.12 76.33 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.188 -0.46 . . . . 32.95 111.863 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.58 -19.41 38.54 Favored 'General case' 0 C--O 1.28 2.703 0 CA-C-O 118.641 -0.695 . . . . 22.35 112.711 179.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.95 124.99 3.09 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 106.949 -2.46 . . . . 21.99 106.949 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 201' ' ' HOH . 31.1 p30 -119.71 16.91 12.77 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.933 1.827 . . . . 46.1 115.933 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 N--CA 1.48 1.063 0 C-N-CA 124.258 1.023 . . . . 46.49 109.758 177.4 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MRD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.482 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 mmt . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 117.085 2.254 . . . . 24.879999999999999 117.085 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -37.05 85.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.089 -1.044 . . . . 27.719999999999999 112.21 -177.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.27 -46.9 88.21 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 121.854 0.835 . . . . 14.84 110.066 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.98 -45.03 99.92 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.519 0 O-C-N 121.211 -0.931 . . . . 16.059999999999999 110.579 179.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.81 96.08 Favored 'General case' 0 C--O 1.288 3.105 0 C-N-CA 115.889 -2.325 . . . . 12.880000000000001 112.181 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -63.39 -38.0 89.47 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.15 -0.62 . . . . 24.77 111.036 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.9 -43.71 82.68 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.239 -1.023 . . . . 13.970000000000001 108.239 -177.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -66.42 -39.88 89.2 Favored 'General case' 0 CA--C 1.489 -1.365 0 C-N-CA 118.141 -1.424 . . . . 12.98 112.141 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -63.52 -36.87 85.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 118.389 -1.324 . . . . 27.140000000000001 111.161 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -67.39 -46.43 73.29 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-O 118.546 -0.74 . . . . 12.41 109.233 -176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -65.47 -40.12 92.78 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 119.146 0.884 . . . . 16.129999999999999 112.016 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.48 -42.47 95.87 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 119.065 -1.054 . . . . 24.199999999999999 112.483 175.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -59.45 -41.95 90.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 119.303 -0.38 . . . . 23.210000000000001 111.514 174.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -71.85 -39.07 69.95 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 120.503 -1.373 . . . . 19.149999999999999 110.432 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.38 -42.57 87.35 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-O 122.475 1.131 . . . . 16.670000000000002 112.49 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.34 91.79 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.741 -1.118 . . . . 17.0 110.727 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -69.67 -41.33 75.64 Favored 'General case' 0 C--O 1.257 1.457 0 CA-C-N 119.296 1.548 . . . . 31.920000000000002 112.406 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -69.16 -42.12 76.33 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.188 -0.46 . . . . 32.950000000000003 111.863 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.58 -19.41 38.54 Favored 'General case' 0 C--O 1.28 2.703 0 CA-C-O 118.641 -0.695 . . . . 22.350000000000001 112.711 179.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.95 124.99 3.09 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 106.949 -2.46 . . . . 21.989999999999998 106.949 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 201' ' ' HOH . 31.1 p30 -119.71 16.91 12.77 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.933 1.827 . . . . 46.100000000000001 115.933 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 N--CA 1.48 1.063 0 C-N-CA 124.258 1.023 . . . . 46.490000000000002 109.758 177.4 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MRD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.482 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 mmt . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 117.085 2.254 . . . . 24.879999999999999 117.085 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -37.05 85.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.089 -1.044 . . . . 27.719999999999999 112.21 -177.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.27 -46.9 88.21 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 121.854 0.835 . . . . 14.84 110.066 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.98 -45.03 99.92 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.519 0 O-C-N 121.211 -0.931 . . . . 16.059999999999999 110.579 179.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.81 96.08 Favored 'General case' 0 C--O 1.288 3.105 0 C-N-CA 115.889 -2.325 . . . . 12.880000000000001 112.181 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -63.39 -38.0 89.47 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.15 -0.62 . . . . 24.77 111.036 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.9 -43.71 82.68 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.239 -1.023 . . . . 13.970000000000001 108.239 -177.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -66.42 -39.88 89.2 Favored 'General case' 0 CA--C 1.489 -1.365 0 C-N-CA 118.141 -1.424 . . . . 12.98 112.141 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -63.52 -36.87 85.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 118.389 -1.324 . . . . 27.140000000000001 111.161 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -67.39 -46.43 73.29 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-O 118.546 -0.74 . . . . 12.41 109.233 -176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -65.47 -40.12 92.78 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 119.146 0.884 . . . . 16.129999999999999 112.016 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.48 -42.47 95.87 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 119.065 -1.054 . . . . 24.199999999999999 112.483 175.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -59.45 -41.95 90.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 119.303 -0.38 . . . . 23.210000000000001 111.514 174.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -71.85 -39.07 69.95 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 120.503 -1.373 . . . . 19.149999999999999 110.432 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.38 -42.57 87.35 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-O 122.475 1.131 . . . . 16.670000000000002 112.49 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.34 91.79 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.741 -1.118 . . . . 17.0 110.727 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -69.67 -41.33 75.64 Favored 'General case' 0 C--O 1.257 1.457 0 CA-C-N 119.296 1.548 . . . . 31.920000000000002 112.406 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -69.16 -42.12 76.33 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.188 -0.46 . . . . 32.950000000000003 111.863 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.58 -19.41 38.54 Favored 'General case' 0 C--O 1.28 2.703 0 CA-C-O 118.641 -0.695 . . . . 22.350000000000001 112.711 179.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.95 124.99 3.09 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 106.949 -2.46 . . . . 21.989999999999998 106.949 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 201' ' ' HOH . 31.1 p30 -119.71 16.91 12.77 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.933 1.827 . . . . 46.100000000000001 115.933 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 N--CA 1.48 1.063 0 C-N-CA 124.258 1.023 . . . . 46.490000000000002 109.758 177.4 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MRD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.482 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_