data_6gs3_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 6gs3 _Structure_validation_residue.Date_analyzed 2019-06-21 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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 N-CA-C 111.065 -0.814 . . . . 20.84 111.065 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.33 -33.95 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 119.435 -0.906 . . . . 19.1 112.68 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.5 -48.02 87.29 Favored Glycine 0 CA--C 1.501 -0.829 0 C-N-CA 118.918 -1.61 . . . . 13.06 109.952 -178.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -69.06 -29.85 68.06 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 121.199 -1.177 . . . . 24.02 110.525 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.38 -48.73 80.48 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.118 -1.438 . . . . 14.49 107.118 178.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.32 -38.55 77.65 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.29 0 O-C-N 121.45 -0.781 . . . . 17.25 110.767 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -55.36 -47.92 75.05 Favored 'General case' 0 C--O 1.258 1.546 0 CA-C-O 121.573 0.701 . . . . 12.8 111.622 171.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -62.45 -36.65 83.1 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 120.998 -1.064 . . . . 28.95 112.748 176.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.53 94.44 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 109.707 -0.479 . . . . 12.2 109.707 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.75 -46.46 96.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 N-CA-C 107.81 -1.182 . . . . 12.85 107.81 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -56.13 -41.46 75.36 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 115.129 1.529 . . . . 13.28 115.129 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.95 -46.87 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 120.478 -0.489 . . . . 12.57 109.894 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.79 -37.57 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 N-CA-C 108.644 -0.872 . . . . 17.61 108.644 -178.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -70.35 -15.37 62.86 Favored 'General case' 0 C--O 1.28 2.688 0 O-C-N 121.076 -1.015 . . . . 22.74 112.431 -178.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -111.45 4.19 18.7 Favored 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 113.477 0.917 . . . . 17.38 113.477 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.31 -18.77 12.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 112.858 0.688 . . . . 17.9 112.858 -168.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 108.041 -1.096 . . . . 23.39 108.041 176.699 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.773 0 N-CA-C 107.853 -2.099 . . . . 14.1 107.853 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.4 -37.02 79.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 126.368 1.867 . . . . 15.36 112.658 -174.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.22 -36.35 89.75 Favored Glycine 0 CA--C 1.503 -0.675 0 C-N-CA 118.572 -1.775 . . . . 12.33 110.488 -172.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -64.59 -34.52 78.44 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.919 -0.712 . . . . 22.42 109.66 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.93 -41.61 91.12 Favored 'General case' 0 C--O 1.25 1.102 0 C-N-CA 119.813 -0.755 . . . . 11.7 110.919 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 94.0 mt -65.41 -41.42 91.1 Favored 'Isoleucine or valine' 0 C--O 1.263 1.765 0 C-N-CA 118.831 -1.148 . . . . 15.31 112.474 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -62.76 -41.06 99.05 Favored 'General case' 0 C--O 1.199 -1.599 0 N-CA-C 112.82 0.674 . . . . 14.57 112.82 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -64.69 -42.95 94.97 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 108.817 -0.808 . . . . 27.89 108.817 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.93 -41.52 64.53 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.948 1.462 . . . . 10.41 114.948 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.2 -39.52 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 118.462 -1.295 . . . . 12.11 109.145 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 14.9 m -63.91 -37.23 86.63 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.619 -1.301 . . . . 11.75 109.786 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.76 -42.87 96.14 Favored 'Isoleucine or valine' 0 C--O 1.272 2.283 0 N-CA-C 109.272 -0.64 . . . . 11.95 109.272 -175.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.45 -40.53 88.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 126.07 2.106 . . . . 12.95 111.199 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.99 -7.82 43.97 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 117.968 2.581 . . . . 19.58 117.968 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -110.98 16.63 21.09 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 115.855 1.798 . . . . 18.25 115.855 175.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.4 -49.47 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 122.867 1.318 . . . . 15.01 112.139 173.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.327 -0.858 . . . . 15.61 109.887 179.337 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 N-CA-C 111.065 -0.814 . . . . 20.84 111.065 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.33 -33.95 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 119.435 -0.906 . . . . 19.100000000000001 112.68 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.5 -48.02 87.29 Favored Glycine 0 CA--C 1.501 -0.829 0 C-N-CA 118.918 -1.61 . . . . 13.06 109.952 -178.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -69.06 -29.85 68.06 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 121.199 -1.177 . . . . 24.02 110.525 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.38 -48.73 80.48 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.118 -1.438 . . . . 14.49 107.118 178.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.32 -38.55 77.65 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.29 0 O-C-N 121.45 -0.781 . . . . 17.25 110.767 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -55.36 -47.92 75.05 Favored 'General case' 0 C--O 1.258 1.546 0 CA-C-O 121.573 0.701 . . . . 12.800000000000001 111.622 171.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -62.45 -36.65 83.1 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 120.998 -1.064 . . . . 28.949999999999999 112.748 176.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.53 94.44 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 109.707 -0.479 . . . . 12.199999999999999 109.707 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.75 -46.46 96.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 N-CA-C 107.81 -1.182 . . . . 12.85 107.81 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -56.13 -41.46 75.36 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 115.129 1.529 . . . . 13.279999999999999 115.129 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.95 -46.87 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 120.478 -0.489 . . . . 12.57 109.894 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.79 -37.57 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 N-CA-C 108.644 -0.872 . . . . 17.609999999999999 108.644 -178.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -70.35 -15.37 62.86 Favored 'General case' 0 C--O 1.28 2.688 0 O-C-N 121.076 -1.015 . . . . 22.739999999999998 112.431 -178.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -111.45 4.19 18.7 Favored 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 113.477 0.917 . . . . 17.379999999999999 113.477 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.31 -18.77 12.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 112.858 0.688 . . . . 17.899999999999999 112.858 -168.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 108.041 -1.096 . . . . 23.390000000000001 108.041 176.699 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.773 0 N-CA-C 107.853 -2.099 . . . . 14.1 107.853 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.4 -37.02 79.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 126.368 1.867 . . . . 15.359999999999999 112.658 -174.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.22 -36.35 89.75 Favored Glycine 0 CA--C 1.503 -0.675 0 C-N-CA 118.572 -1.775 . . . . 12.33 110.488 -172.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -64.59 -34.52 78.44 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.919 -0.712 . . . . 22.420000000000002 109.66 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.93 -41.61 91.12 Favored 'General case' 0 C--O 1.25 1.102 0 C-N-CA 119.813 -0.755 . . . . 11.699999999999999 110.919 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 94.0 mt -65.41 -41.42 91.1 Favored 'Isoleucine or valine' 0 C--O 1.263 1.765 0 C-N-CA 118.831 -1.148 . . . . 15.31 112.474 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -62.76 -41.06 99.05 Favored 'General case' 0 C--O 1.199 -1.599 0 N-CA-C 112.82 0.674 . . . . 14.57 112.82 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -64.69 -42.95 94.97 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 108.817 -0.808 . . . . 27.890000000000001 108.817 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.93 -41.52 64.53 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.948 1.462 . . . . 10.41 114.948 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.2 -39.52 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 118.462 -1.295 . . . . 12.109999999999999 109.145 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 14.9 m -63.91 -37.23 86.63 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.619 -1.301 . . . . 11.75 109.786 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.76 -42.87 96.14 Favored 'Isoleucine or valine' 0 C--O 1.272 2.283 0 N-CA-C 109.272 -0.64 . . . . 11.949999999999999 109.272 -175.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.45 -40.53 88.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 126.07 2.106 . . . . 12.949999999999999 111.199 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.99 -7.82 43.97 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 117.968 2.581 . . . . 19.579999999999998 117.968 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -110.98 16.63 21.09 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 115.855 1.798 . . . . 18.25 115.855 175.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.4 -49.47 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 122.867 1.318 . . . . 15.01 112.139 173.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.327 -0.858 . . . . 15.609999999999999 109.887 179.337 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 N-CA-C 111.065 -0.814 . . . . 20.84 111.065 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.33 -33.95 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 119.435 -0.906 . . . . 19.1 112.68 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.5 -48.02 87.29 Favored Glycine 0 CA--C 1.501 -0.829 0 C-N-CA 118.918 -1.61 . . . . 13.06 109.952 -178.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -69.06 -29.85 68.06 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 121.199 -1.177 . . . . 24.02 110.525 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.38 -48.73 80.48 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.118 -1.438 . . . . 14.49 107.118 178.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.32 -38.55 77.65 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.29 0 O-C-N 121.45 -0.781 . . . . 17.25 110.767 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -55.36 -47.92 75.05 Favored 'General case' 0 C--O 1.258 1.546 0 CA-C-O 121.573 0.701 . . . . 12.8 111.622 171.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -62.45 -36.65 83.1 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 120.998 -1.064 . . . . 28.95 112.748 176.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.53 94.44 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 109.707 -0.479 . . . . 12.2 109.707 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.75 -46.46 96.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 N-CA-C 107.81 -1.182 . . . . 12.85 107.81 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -56.13 -41.46 75.36 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 115.129 1.529 . . . . 13.28 115.129 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.95 -46.87 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 120.478 -0.489 . . . . 12.57 109.894 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.79 -37.57 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 N-CA-C 108.644 -0.872 . . . . 17.61 108.644 -178.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -70.35 -15.37 62.86 Favored 'General case' 0 C--O 1.28 2.688 0 O-C-N 121.076 -1.015 . . . . 22.74 112.431 -178.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -111.45 4.19 18.7 Favored 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 113.477 0.917 . . . . 17.38 113.477 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.31 -18.77 12.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 112.858 0.688 . . . . 17.9 112.858 -168.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 108.041 -1.096 . . . . 23.39 108.041 176.699 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.773 0 N-CA-C 107.853 -2.099 . . . . 14.1 107.853 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.4 -37.02 79.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 126.368 1.867 . . . . 15.36 112.658 -174.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.22 -36.35 89.75 Favored Glycine 0 CA--C 1.503 -0.675 0 C-N-CA 118.572 -1.775 . . . . 12.33 110.488 -172.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -64.59 -34.52 78.44 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.919 -0.712 . . . . 22.42 109.66 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.93 -41.61 91.12 Favored 'General case' 0 C--O 1.25 1.102 0 C-N-CA 119.813 -0.755 . . . . 11.7 110.919 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 94.0 mt -65.41 -41.42 91.1 Favored 'Isoleucine or valine' 0 C--O 1.263 1.765 0 C-N-CA 118.831 -1.148 . . . . 15.31 112.474 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -62.76 -41.06 99.05 Favored 'General case' 0 C--O 1.199 -1.599 0 N-CA-C 112.82 0.674 . . . . 14.57 112.82 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -64.69 -42.95 94.97 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 108.817 -0.808 . . . . 27.89 108.817 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.93 -41.52 64.53 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.948 1.462 . . . . 10.41 114.948 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.2 -39.52 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 118.462 -1.295 . . . . 12.11 109.145 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 14.9 m -63.91 -37.23 86.63 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.619 -1.301 . . . . 11.75 109.786 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.76 -42.87 96.14 Favored 'Isoleucine or valine' 0 C--O 1.272 2.283 0 N-CA-C 109.272 -0.64 . . . . 11.95 109.272 -175.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.45 -40.53 88.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 126.07 2.106 . . . . 12.95 111.199 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.99 -7.82 43.97 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 117.968 2.581 . . . . 19.58 117.968 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -110.98 16.63 21.09 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 115.855 1.798 . . . . 18.25 115.855 175.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.4 -49.47 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 122.867 1.318 . . . . 15.01 112.139 173.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.327 -0.858 . . . . 15.61 109.887 179.337 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_