data_5suu_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 5suu _Structure_validation_residue.Date_analyzed 2017-01-06 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' ' ' ORN . . . . . 0.584 ' O ' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 p -152.92 -177.65 6.42 Favored 'General case' 0 C--N 1.373 1.616 0 N-CA-C 113.687 0.995 . . . . 81.620000000000005 113.687 -177.643 45.28 68.932 128.705 93.078 13.732 69.971 -86.762 67.284 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -102.47 112.28 35.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-N 115.531 -0.759 . . . . 50.43 110.709 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -88.88 158.74 17.99 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.281 -1.007 . . . . 36.780000000000001 108.281 169.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -126.56 144.77 50.77 Favored 'General case' 0 CA--C 1.514 -0.419 0 O-C-N 123.487 0.492 . . . . 39.850000000000001 111.066 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.5 p -138.9 155.77 47.82 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 121.233 0.54 . . . . 20.98 110.554 176.538 67.284 -86.762 128.705 69.971 13.732 93.078 68.932 45.28 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -96.89 118.18 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.379 -0.828 . . . . 44.060000000000002 110.092 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' C ' ' HB3' ' A' ' 9' ' ' ORN . 49.1 t0 . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 109.715 -0.476 . . . . 43.899999999999999 109.715 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ORN . . . . . 0.416 ' HB3' ' C ' ' A' ' 8' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.8 157.86 17.8 Favored 'General case' 0 C--N 1.373 1.599 0 CA-C-N 115.167 -0.924 . . . . 42.390000000000001 110.381 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.27 126.35 48.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.382 -0.97 . . . . 46.689999999999998 108.382 172.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.76 145.7 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 118.313 -0.851 . . . . 67.890000000000001 109.217 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -148.97 116.8 6.28 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.028 -0.533 . . . . 48.890000000000001 110.271 -179.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 106.852 -1.536 . . . . 68.569999999999993 106.852 179.069 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ORN . . . . . 0.766 ' O ' ' O ' ' B' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 p -146.57 169.37 19.1 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 108.146 -1.057 . . . . 34.909999999999997 108.146 -179.583 51.056 65.949 121.017 94.598 13.757 75.084 -80.497 60.511 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -104.74 117.63 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.534 -1.212 . . . . 64.150000000000006 108.97 -173.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -91.1 154.69 19.19 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.279 -1.008 . . . . 21.370000000000001 108.279 168.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -126.53 139.85 52.9 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 121.137 0.494 . . . . 30.82 110.938 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 27.9 p -126.84 162.87 24.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.666 -1.152 . . . . 22.260000000000002 110.808 175.502 60.511 -80.497 121.017 75.084 13.757 94.598 65.949 51.056 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -101.19 126.35 47.9 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.397 -1.274 . . . . 42.469999999999999 109.495 177.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 51.4 t0 . . . . . 0 C--O 1.233 0.216 0 N-CA-C 107.956 -1.127 . . . . 34.630000000000003 107.956 175.724 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.89 155.38 19.18 Favored 'General case' 0 C--N 1.374 1.664 0 CA-C-N 114.967 -1.015 . . . . 31.91 111.99 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.9 mt -92.7 127.61 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 N-CA-C 107.187 -1.412 . . . . 38.399999999999999 107.187 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . 0.513 ' HA ' ' HN1' ' B' ' 13' ' ' SAR . 45.0 mm -120.36 129.68 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 118.178 -0.915 . . . . 50.270000000000003 109.164 178.167 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' SAR . . . . . 0.513 ' HN1' ' HA ' ' B' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -137.44 120.33 16.43 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.432 -0.951 . . . . 32.780000000000001 108.432 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 CA--C 1.514 -0.436 0 CA-C-N 121.438 1.926 . . . . 40.600000000000001 109.846 179.215 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.584 ' O ' ' O ' ' A' ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . 0.766 ' O ' ' O ' ' B' ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ORN . . . . . 0.584 ' O ' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 p -152.92 -177.65 6.42 Favored 'General case' 0 C--N 1.373 1.616 0 N-CA-C 113.687 0.995 . . . . 68.019999999999996 113.687 -177.643 45.28 68.932 128.705 93.078 13.732 69.971 -86.762 67.284 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -102.47 112.28 35.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-N 115.531 -0.759 . . . . 42.030000000000001 110.709 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -88.88 158.74 17.99 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.281 -1.007 . . . . 30.649999999999999 108.281 169.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -126.56 144.77 50.77 Favored 'General case' 0 CA--C 1.514 -0.419 0 O-C-N 123.487 0.492 . . . . 33.210000000000001 111.066 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.5 p -138.9 155.77 47.82 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 121.233 0.54 . . . . 20.68 110.554 176.538 67.284 -86.762 128.705 69.971 13.732 93.078 68.932 45.28 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -96.89 118.18 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.379 -0.828 . . . . 40.640000000000001 110.092 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 49.1 t0 . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 109.715 -0.476 . . . . 43.899999999999999 109.715 -176.541 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.8 157.86 17.8 Favored 'General case' 0 C--N 1.373 1.599 0 CA-C-N 115.167 -0.924 . . . . 35.329999999999998 110.381 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.27 126.35 48.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.382 -0.97 . . . . 38.899999999999999 108.382 172.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . 0.409 ' HA ' ' HN1' ' A' ' 13' ' ' SAR . 89.6 mt -117.76 145.7 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 118.313 -0.851 . . . . 56.579999999999998 109.217 -177.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SAR . . . . . 0.409 ' HN1' ' HA ' ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -148.97 116.8 6.28 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.028 -0.533 . . . . 40.740000000000002 110.271 -179.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 106.852 -1.536 . . . . 57.140000000000001 106.852 179.069 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ORN . . . . . 0.766 ' O ' ' O ' ' B' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 p -146.57 169.37 19.1 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 108.146 -1.057 . . . . 29.09 108.146 -179.583 51.056 65.949 121.017 94.598 13.757 75.084 -80.497 60.511 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -104.74 117.63 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.534 -1.212 . . . . 53.460000000000001 108.97 -173.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -91.1 154.69 19.19 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.279 -1.008 . . . . 17.809999999999999 108.279 168.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -126.53 139.85 52.9 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 121.137 0.494 . . . . 25.68 110.938 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 27.9 p -126.84 162.87 24.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.666 -1.152 . . . . 20.920000000000002 110.808 175.502 60.511 -80.497 121.017 75.084 13.757 94.598 65.949 51.056 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -101.19 126.35 47.9 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.397 -1.274 . . . . 42.469999999999999 109.495 177.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 51.4 t0 . . . . . 0 C--O 1.233 0.216 0 N-CA-C 107.956 -1.127 . . . . 34.630000000000003 107.956 175.724 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.89 155.38 19.18 Favored 'General case' 0 C--N 1.374 1.664 0 CA-C-N 114.967 -1.015 . . . . 26.59 111.99 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.9 mt -92.7 127.61 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 N-CA-C 107.187 -1.412 . . . . 32.0 107.187 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . 0.472 ' HA ' ' HN1' ' B' ' 13' ' ' SAR . 45.0 mm -120.36 129.68 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 118.178 -0.915 . . . . 41.890000000000001 109.164 178.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' SAR . . . . . 0.472 ' HN1' ' HA ' ' B' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -137.44 120.33 16.43 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.432 -0.951 . . . . 27.309999999999999 108.432 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 CA--C 1.514 -0.436 0 CA-C-N 121.438 1.926 . . . . 33.840000000000003 109.846 179.215 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.584 ' O ' ' O ' ' A' ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . 0.766 ' O ' ' O ' ' B' ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ORN . . . . . 0.584 ' O ' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 p -152.92 -177.65 6.42 Favored 'General case' 0 C--N 1.373 1.616 0 N-CA-C 113.687 0.995 . . . . 68.019999999999996 113.687 -177.643 45.28 68.932 128.705 93.078 13.732 69.971 -86.762 67.284 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -102.47 112.28 35.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-N 115.531 -0.759 . . . . 42.030000000000001 110.709 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -88.88 158.74 17.99 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.281 -1.007 . . . . 30.649999999999999 108.281 169.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -126.56 144.77 50.77 Favored 'General case' 0 CA--C 1.514 -0.419 0 O-C-N 123.487 0.492 . . . . 33.210000000000001 111.066 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.5 p -138.9 155.77 47.82 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 121.233 0.54 . . . . 20.68 110.554 176.538 67.284 -86.762 128.705 69.971 13.732 93.078 68.932 45.28 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -96.89 118.18 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.379 -0.828 . . . . 40.640000000000001 110.092 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 49.1 t0 . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 109.715 -0.476 . . . . 43.899999999999999 109.715 -176.541 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.8 157.86 17.8 Favored 'General case' 0 C--N 1.373 1.599 0 CA-C-N 115.167 -0.924 . . . . 35.329999999999998 110.381 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.27 126.35 48.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.382 -0.97 . . . . 38.899999999999999 108.382 172.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.409 ' HA ' ' HN1' ' A' ' 13' ' ' SAR . 89.6 mt -117.76 145.7 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 118.313 -0.851 . . . . 56.579999999999998 109.217 -177.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SAR . . . . . 0.409 ' HN1' ' HA ' ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -148.97 116.8 6.28 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.028 -0.533 . . . . 40.740000000000002 110.271 -179.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 106.852 -1.536 . . . . 57.140000000000001 106.852 179.069 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ORN . . . . . 0.766 ' O ' ' O ' ' B' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 p -146.57 169.37 19.1 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 108.146 -1.057 . . . . 29.09 108.146 -179.583 51.056 65.949 121.017 94.598 13.757 75.084 -80.497 60.511 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -104.74 117.63 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.534 -1.212 . . . . 53.460000000000001 108.97 -173.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -91.1 154.69 19.19 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.279 -1.008 . . . . 17.809999999999999 108.279 168.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -126.53 139.85 52.9 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 121.137 0.494 . . . . 25.68 110.938 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 27.9 p -126.84 162.87 24.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.666 -1.152 . . . . 20.920000000000002 110.808 175.502 60.511 -80.497 121.017 75.084 13.757 94.598 65.949 51.056 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -101.19 126.35 47.9 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.397 -1.274 . . . . 42.469999999999999 109.495 177.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 51.4 t0 . . . . . 0 C--O 1.233 0.216 0 N-CA-C 107.956 -1.127 . . . . 34.630000000000003 107.956 175.724 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.89 155.38 19.18 Favored 'General case' 0 C--N 1.374 1.664 0 CA-C-N 114.967 -1.015 . . . . 26.59 111.99 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.9 mt -92.7 127.61 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 N-CA-C 107.187 -1.412 . . . . 32.0 107.187 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.472 ' HA ' ' HN1' ' B' ' 13' ' ' SAR . 45.0 mm -120.36 129.68 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 118.178 -0.915 . . . . 41.890000000000001 109.164 178.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' SAR . . . . . 0.472 ' HN1' ' HA ' ' B' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -137.44 120.33 16.43 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.432 -0.951 . . . . 27.309999999999999 108.432 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 CA--C 1.514 -0.436 0 CA-C-N 121.438 1.926 . . . . 33.840000000000003 109.846 179.215 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.584 ' O ' ' O ' ' A' ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . 0.766 ' O ' ' O ' ' B' ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_