data_3e8y_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 3e8y _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 ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 108.41 -0.959 . . . . 24.39 108.41 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 43.8 t -99.48 136.54 39.27 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 109.083 -0.71 . . . . 13.53 109.083 171.514 -175.32 -82.359 -80.264 104.464 2.033 102.398 -64.082 -64.75 1 1 . 1 . 001 ecloud orig full ' X' X ' 4' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -123.03 132.56 54.18 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 107.413 -1.329 . . . . 28.03 107.413 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -54.38 -50.17 68.14 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 116.123 1.897 . . . . 27.72 116.123 -171.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -68.57 -42.77 77.82 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 121.887 0.851 . . . . 17.84 110.074 -174.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 7' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -63.48 -38.82 92.6 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 119.576 -0.85 . . . . 20.13 111.509 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 37.8 t -62.44 -48.49 79.43 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.915 -0.491 . . . . 10.08 111.049 179.828 174.754 57.154 86.515 103.273 2.05 103.069 59.445 171.495 1 1 . 1 . 001 ecloud orig full ' X' X ' 9' ' ' ARG . . . . . . . . . . . . . . . -55.63 -47.15 77.09 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 119.228 -0.989 . . . . 16.25 111.829 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.63 -40.25 85.76 Favored 'Isoleucine or valine' 0 C--O 1.255 1.388 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.269 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 11' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -64.19 -42.15 96.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 122.553 1.168 . . . . 10.91 110.567 173.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 12' ' ' CYS . . . . . . . . . . . . . 91.0 m -61.37 -46.88 88.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.152 -0.931 . . . . 8.0 111.615 -177.106 -70.187 -74.278 -81.067 102.038 2.041 105.076 -54.961 -53.676 1 1 . 1 . 001 ecloud orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.18 -40.97 89.54 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 119.884 -0.726 . . . . 9.52 109.729 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.24 -34.41 68.56 Favored 'General case' 0 CA--C 1.514 -0.409 0 O-C-N 121.397 -0.814 . . . . 10.01 112.028 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 15' ' ' MET . . . . . . . . . . . . . 10.5 mtm -86.09 1.74 49.29 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 118.04 -0.981 . . . . 17.59 113.534 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.76 5.47 56.6 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-O 118.666 -1.074 . . . . 14.04 113.757 175.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -85.19 169.72 13.57 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 119.199 1.5 . . . . 10.56 109.302 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 74.7 m -75.12 -41.16 59.11 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.824 1.046 . . . . 13.51 113.824 -174.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -174.85 -167.15 0.27 Allowed 'General case' 0 C--O 1.244 0.78 0 N-CA-C 106.761 -1.57 . . . . 16.16 106.761 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.32 168.09 40.27 Favored Glycine 0 CA--C 1.491 -1.409 0 N-CA-C 111.57 -0.612 . . . . 13.61 111.57 173.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . . . -139.58 144.99 38.04 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 122.347 1.07 . . . . 18.27 110.126 178.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 22' ' ' CYS . . . . . . . . . . . . . 89.2 m -80.43 124.91 29.31 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.488 -1.233 . . . . 13.42 110.209 175.964 -64.75 -64.082 -80.264 102.398 2.033 104.464 -82.359 -175.32 1 1 . 1 . 001 ecloud orig full ' X' X ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mm -136.84 118.51 19.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 N-CA-C 106.54 -1.652 . . . . 16.53 106.54 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 24' ' ' ASN . . . . . . . . . . . . . 52.7 t30 53.09 44.92 29.72 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.367 -0.833 . . . . 19.8 112.044 174.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 25' ' ' SER . . . . . . . . . . . . . 52.5 m 67.72 13.67 9.29 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 115.368 1.618 . . . . 15.08 115.368 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 26' ' ' LYS . . . . . . . . . . . . . . . -114.53 137.74 51.49 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.526 -0.916 . . . . 25.42 108.526 -176.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 t -86.5 107.62 18.17 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.707 -1.22 . . . . 9.23 107.707 171.52 171.495 59.445 86.515 103.069 2.05 103.273 57.154 174.754 1 1 . 1 . 001 ecloud orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -107.18 114.18 28.07 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 115.331 -0.849 . . . . 19.3 109.491 -175.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -80.12 148.57 30.92 Favored 'General case' 0 C--O 1.252 1.198 0 C-N-CA 119.271 -0.971 . . . . 7.92 112.157 -179.014 -53.676 -54.961 -81.067 105.076 2.041 102.038 -74.278 -70.187 1 1 . 1 . 001 ecloud orig full ' X' X ' 30' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -85.21 133.33 34.19 Favored 'General case' 0 C--O 1.262 1.76 0 N-CA-C 107.804 -1.184 . . . . 13.91 107.804 163.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tptt . . . . . 0 C--O 1.252 1.229 0 CA-C-N 119.202 0.91 . . . . 13.0 112.28 179.049 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 108.41 -0.959 . . . . 24.39 108.41 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 43.8 t -99.48 136.54 39.27 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 109.083 -0.71 . . . . 13.53 109.083 171.514 -175.32 -82.359 -80.264 104.464 2.033 102.398 -64.082 -64.75 1 1 . 1 . 001 ecloud build full ' X' X ' 4' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -123.03 132.56 54.18 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 107.413 -1.329 . . . . 28.03 107.413 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -54.38 -50.17 68.14 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 116.123 1.897 . . . . 27.72 116.123 -171.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -68.57 -42.77 77.82 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 121.887 0.851 . . . . 17.84 110.074 -174.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 7' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -63.48 -38.82 92.6 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 119.576 -0.85 . . . . 20.13 111.509 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 37.8 t -62.44 -48.49 79.43 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.915 -0.491 . . . . 10.08 111.049 179.828 174.754 57.154 86.515 103.273 2.05 103.069 59.445 171.495 1 1 . 1 . 001 ecloud build full ' X' X ' 9' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' X' ' 118' ' ' HOH . . . -55.63 -47.15 77.09 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 119.228 -0.989 . . . . 16.25 111.829 177.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.63 -40.25 85.76 Favored 'Isoleucine or valine' 0 C--O 1.255 1.388 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.269 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 11' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -64.19 -42.15 96.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 122.553 1.168 . . . . 15.92 110.567 173.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 12' ' ' CYS . . . . . . . . . . . . . 91.0 m -61.37 -46.88 88.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.152 -0.931 . . . . 8.0 111.615 -177.106 -70.187 -74.278 -81.067 102.038 2.041 105.076 -54.961 -53.676 1 1 . 1 . 001 ecloud build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.18 -40.97 89.54 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 119.884 -0.726 . . . . 9.52 109.729 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.24 -34.41 68.56 Favored 'General case' 0 CA--C 1.514 -0.409 0 O-C-N 121.397 -0.814 . . . . 10.01 112.028 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 15' ' ' MET . . . . . . . . . . . . . 10.5 mtm -86.09 1.74 49.29 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 118.04 -0.981 . . . . 17.59 113.534 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.76 5.47 56.6 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-O 118.666 -1.074 . . . . 14.04 113.757 175.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -85.19 169.72 13.57 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 119.199 1.5 . . . . 10.56 109.302 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 74.7 m -75.12 -41.16 59.11 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.824 1.046 . . . . 13.51 113.824 -174.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -174.85 -167.15 0.27 Allowed 'General case' 0 C--O 1.244 0.78 0 N-CA-C 106.761 -1.57 . . . . 16.16 106.761 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.32 168.09 40.27 Favored Glycine 0 CA--C 1.491 -1.409 0 N-CA-C 111.57 -0.612 . . . . 13.61 111.57 173.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . . . -139.58 144.99 38.04 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 122.347 1.07 . . . . 18.27 110.126 178.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 22' ' ' CYS . . . . . . . . . . . . . 89.2 m -80.43 124.91 29.31 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.488 -1.233 . . . . 13.42 110.209 175.964 -64.75 -64.082 -80.264 102.398 2.033 104.464 -82.359 -175.32 1 1 . 1 . 001 ecloud build full ' X' X ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mm -136.84 118.51 19.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 N-CA-C 106.54 -1.652 . . . . 16.53 106.54 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 24' ' ' ASN . . . . . . . . . . . . . 52.7 t30 53.09 44.92 29.72 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.367 -0.833 . . . . 19.8 112.044 174.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 25' ' ' SER . . . . . . . . . . . . . 52.5 m 67.72 13.67 9.29 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 115.368 1.618 . . . . 15.57 115.368 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 26' ' ' LYS . . . . . . . . . . . . . . . -114.53 137.74 51.49 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.526 -0.916 . . . . 25.42 108.526 -176.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 t -86.5 107.62 18.17 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.707 -1.22 . . . . 9.23 107.707 171.52 171.495 59.445 86.515 103.069 2.05 103.273 57.154 174.754 1 1 . 1 . 001 ecloud build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -107.18 114.18 28.07 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 115.331 -0.849 . . . . 19.3 109.491 -175.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -80.12 148.57 30.92 Favored 'General case' 0 C--O 1.252 1.198 0 C-N-CA 119.271 -0.971 . . . . 7.92 112.157 -179.014 -53.676 -54.961 -81.067 105.076 2.041 102.038 -74.278 -70.187 1 1 . 1 . 001 ecloud build full ' X' X ' 30' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -85.21 133.33 34.19 Favored 'General case' 0 C--O 1.262 1.76 0 N-CA-C 107.804 -1.184 . . . . 13.91 107.804 163.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tptt . . . . . 0 C--O 1.252 1.229 0 CA-C-N 119.202 0.91 . . . . 13.0 112.28 179.049 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 118' ' ' HOH . . . . . 0.471 ' O ' ' HG3' ' X' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 108.41 -0.959 . . . . 24.390000000000001 108.41 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 43.8 t -99.48 136.54 39.27 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 109.083 -0.71 . . . . 13.529999999999999 109.083 171.514 -175.32 -82.359 -80.264 104.464 2.033 102.398 -64.082 -64.75 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 4' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -123.03 132.56 54.18 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 107.413 -1.329 . . . . 28.030000000000001 107.413 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -54.38 -50.17 68.14 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 116.123 1.897 . . . . 27.719999999999999 116.123 -171.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -68.57 -42.77 77.82 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 121.887 0.851 . . . . 17.84 110.074 -174.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 7' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -63.48 -38.82 92.6 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 119.576 -0.85 . . . . 20.129999999999999 111.509 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 37.8 t -62.44 -48.49 79.43 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.915 -0.491 . . . . 10.08 111.049 179.828 174.754 57.154 86.515 103.273 2.05 103.069 59.445 171.495 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 9' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' X' ' 118' ' ' HOH . . . -55.63 -47.15 77.09 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 119.228 -0.989 . . . . 16.25 111.829 177.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.63 -40.25 85.76 Favored 'Isoleucine or valine' 0 C--O 1.255 1.388 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.269 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 11' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -64.19 -42.15 96.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 122.553 1.168 . . . . 15.92 110.567 173.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 12' ' ' CYS . . . . . . . . . . . . . 91.0 m -61.37 -46.88 88.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.152 -0.931 . . . . 8.0 111.615 -177.106 -70.187 -74.278 -81.067 102.038 2.041 105.076 -54.961 -53.676 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.18 -40.97 89.54 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 119.884 -0.726 . . . . 9.5199999999999996 109.729 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.24 -34.41 68.56 Favored 'General case' 0 CA--C 1.514 -0.409 0 O-C-N 121.397 -0.814 . . . . 10.01 112.028 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 15' ' ' MET . . . . . . . . . . . . . 10.5 mtm -86.09 1.74 49.29 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 118.04 -0.981 . . . . 17.59 113.534 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.76 5.47 56.6 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-O 118.666 -1.074 . . . . 14.039999999999999 113.757 175.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -85.19 169.72 13.57 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 119.199 1.5 . . . . 10.56 109.302 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 74.7 m -75.12 -41.16 59.11 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.824 1.046 . . . . 13.51 113.824 -174.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -174.85 -167.15 0.27 Allowed 'General case' 0 C--O 1.244 0.78 0 N-CA-C 106.761 -1.57 . . . . 16.16 106.761 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.32 168.09 40.27 Favored Glycine 0 CA--C 1.491 -1.409 0 N-CA-C 111.57 -0.612 . . . . 13.609999999999999 111.57 173.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . . . -139.58 144.99 38.04 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 122.347 1.07 . . . . 18.27 110.126 178.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 22' ' ' CYS . . . . . . . . . . . . . 89.2 m -80.43 124.91 29.31 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.488 -1.233 . . . . 13.42 110.209 175.964 -64.75 -64.082 -80.264 102.398 2.033 104.464 -82.359 -175.32 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mm -136.84 118.51 19.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 N-CA-C 106.54 -1.652 . . . . 16.530000000000001 106.54 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 24' ' ' ASN . . . . . . . . . . . . . 52.7 t30 53.09 44.92 29.72 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.367 -0.833 . . . . 19.800000000000001 112.044 174.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 25' ' ' SER . . . . . . . . . . . . . 52.5 m 67.72 13.67 9.29 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 115.368 1.618 . . . . 15.57 115.368 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 26' ' ' LYS . . . . . . . . . . . . . . . -114.53 137.74 51.49 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.526 -0.916 . . . . 25.420000000000002 108.526 -176.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 t -86.5 107.62 18.17 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.707 -1.22 . . . . 9.2300000000000004 107.707 171.52 171.495 59.445 86.515 103.069 2.05 103.273 57.154 174.754 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -107.18 114.18 28.07 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 115.331 -0.849 . . . . 19.300000000000001 109.491 -175.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -80.12 148.57 30.92 Favored 'General case' 0 C--O 1.252 1.198 0 C-N-CA 119.271 -0.971 . . . . 7.9199999999999999 112.157 -179.014 -53.676 -54.961 -81.067 105.076 2.041 102.038 -74.278 -70.187 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 30' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -85.21 133.33 34.19 Favored 'General case' 0 C--O 1.262 1.76 0 N-CA-C 107.804 -1.184 . . . . 13.91 107.804 163.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tptt . . . . . 0 C--O 1.252 1.229 0 CA-C-N 119.202 0.91 . . . . 13.0 112.28 179.049 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 118' ' ' HOH . . . . . 0.471 ' O ' ' HG3' ' X' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_