data_1bh0_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 1bh0 _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 ' A' A ' 1' ' ' HIS . . . . . 0.582 ' ND1' ' N ' ' A' ' 2' ' ' SER . 13.3 p80 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 118.357 2.725 . . . . 17.64 118.357 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . 0.582 ' N ' ' ND1' ' A' ' 1' ' ' HIS . 1.6 m -31.14 -63.62 0.16 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.541 1.536 . . . . 14.33 111.439 -179.731 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . 0.552 ' NE2' ' CE1' ' A' ' 1' ' ' HIS . 1.7 pm0 -98.42 -0.76 42.95 Favored 'General case' 0 C--O 1.262 1.718 0 C-N-CA 123.874 0.869 . . . . 6.71 109.962 177.334 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.16 72.65 0.0 OUTLIER Glycine 0 C--N 1.349 1.259 0 O-C-N 125.933 2.021 . . . . 7.33 116.556 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 3' ' ' GLN 0.607 69.7 p 77.23 128.66 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.16 2 N-CA-C 134.472 8.693 . . . . 10.03 134.472 176.603 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -167.33 -22.35 0.02 OUTLIER 'General case' 0 C--O 1.263 1.793 0 CA-C-N 112.518 -2.128 . . . . 18.99 116.541 174.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . 0.564 ' C ' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -103.7 -27.88 12.01 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 104.759 -2.312 . . . . 15.66 104.759 177.92 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -83.98 47.65 1.34 Allowed 'General case' 0 C--O 1.246 0.899 1 N-CA-C 96.206 -5.479 . . . . 12.62 96.206 173.286 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . 0.564 ' N ' ' C ' ' A' ' 7' ' ' THR . 42.9 t0 -162.16 -108.55 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 114.69 -1.141 . . . . 18.42 110.161 -179.859 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -22.86 -37.73 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 120.828 3.64 . . . . 14.54 120.828 -175.382 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.353 55.5 m -53.25 1.01 0.01 OUTLIER 'General case' 0 N--CA 1.436 -1.131 1 N-CA-C 125.058 5.207 . . . . 11.52 125.058 -172.748 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -96.72 -28.56 14.25 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 119.325 -0.95 . . . . 13.32 112.88 177.686 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -28.1 60.29 Favored 'General case' 0 C--O 1.259 1.575 0 N-CA-C 103.874 -2.639 . . . . 21.98 103.874 176.708 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.15 -45.51 76.84 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 113.353 -1.749 . . . . 6.74 106.317 176.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -73.9 -19.45 60.7 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 114.925 -1.034 . . . . 15.52 108.73 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.7 m -77.21 -31.68 55.39 Favored 'General case' 0 C--O 1.268 2.039 0 N-CA-C 107.66 -1.237 . . . . 8.61 107.66 178.376 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -84.51 -26.27 28.23 Favored 'General case' 0 C--O 1.195 -1.802 0 N-CA-C 103.357 -2.831 . . . . 9.23 103.357 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.82 -9.77 58.87 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 121.263 1.847 . . . . 10.68 110.999 179.004 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.01 -45.46 14.05 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.667 -1.151 . . . . 8.91 110.44 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -27.37 64.59 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.536 -0.756 . . . . 9.25 110.284 177.911 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' TRP . 8.0 mt-10 -71.33 -43.61 66.69 Favored 'General case' 0 C--O 1.198 -1.608 0 C-N-CA 124.582 1.153 . . . . 9.86 108.982 177.044 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -57.93 -18.05 20.78 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 115.543 1.683 . . . . 16.16 115.543 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 ' C ' ' N ' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -108.14 -30.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 105.61 -1.996 . . . . 10.23 105.61 177.753 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.41 -33.31 65.67 Favored 'General case' 0 N--CA 1.478 0.933 1 N-CA-C 96.247 -5.464 . . . . 8.06 96.247 174.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . 0.482 ' O ' ' N ' ' A' ' 27' ' ' MET . 89.2 t90 -89.83 -53.79 4.34 Favored 'General case' 0 N--CA 1.4 -2.968 0 CA-C-N 113.154 -1.839 . . . . 11.4 112.342 179.696 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' ' 27' ' ' MET . 62.8 mt -68.81 51.75 0.08 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.269 -1.382 . . . . 20.94 107.269 178.104 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 25' ' ' TRP . 14.7 ttp 168.36 -86.51 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.118 0 N-CA-C 116.085 1.883 . . . . 15.46 116.085 -179.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . 0.326 3.0 t30 34.7 81.04 0.02 OUTLIER 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 116.578 2.066 . . . . 16.73 116.578 -175.52 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.5 p . . . . . 0 CA--C 1.477 -1.829 1 CA-C-O 111.261 -4.209 . . . . 14.63 112.469 175.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HIS . . . . . 0.582 ' ND1' ' N ' ' A' ' 2' ' ' SER . 13.3 p80 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 118.357 2.725 . . . . 17.64 118.357 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.582 ' N ' ' ND1' ' A' ' 1' ' ' HIS . 1.6 m -31.14 -63.62 0.16 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.541 1.536 . . . . 14.33 111.439 -179.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . 0.529 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -98.42 -0.76 42.95 Favored 'General case' 0 C--O 1.262 1.718 0 C-N-CA 123.874 0.869 . . . . 6.71 109.962 177.334 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . 0.45 ' HA3' ' N ' ' A' ' 1' ' ' HIS . . . -48.16 72.65 0.0 OUTLIER Glycine 0 C--N 1.349 1.259 0 O-C-N 125.933 2.021 . . . . 7.33 116.556 178.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 8' ' ' SER 0.607 69.7 p 77.23 128.66 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.16 2 N-CA-C 134.472 8.693 . . . . 10.03 134.472 176.603 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -167.33 -22.35 0.02 OUTLIER 'General case' 0 C--O 1.263 1.793 0 CA-C-N 112.518 -2.128 . . . . 18.99 116.541 174.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . 0.698 ' C ' ' H ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -103.7 -27.88 12.01 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 104.759 -2.312 . . . . 15.66 104.759 177.92 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . 0.644 ' HB2' HG22 ' A' ' 5' ' ' THR . 74.4 m -83.98 47.65 1.34 Allowed 'General case' 0 C--O 1.246 0.899 1 N-CA-C 96.206 -5.479 . . . . 12.62 96.206 173.286 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . 0.698 ' H ' ' C ' ' A' ' 7' ' ' THR . 42.9 t0 -162.16 -108.55 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 114.69 -1.141 . . . . 18.42 110.161 -179.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -22.86 -37.73 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 120.828 3.64 . . . . 14.54 120.828 -175.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.353 55.5 m -53.25 1.01 0.01 OUTLIER 'General case' 0 N--CA 1.436 -1.131 1 N-CA-C 125.058 5.207 . . . . 11.52 125.058 -172.748 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -96.72 -28.56 14.25 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 119.325 -0.95 . . . . 13.32 112.88 177.686 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -56.71 -28.1 60.29 Favored 'General case' 0 C--O 1.259 1.575 0 N-CA-C 103.874 -2.639 . . . . 21.98 103.874 176.708 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.15 -45.51 76.84 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 113.353 -1.749 . . . . 6.74 106.317 176.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -73.9 -19.45 60.7 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 114.925 -1.034 . . . . 15.52 108.73 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.7 m -77.21 -31.68 55.39 Favored 'General case' 0 C--O 1.268 2.039 0 N-CA-C 107.66 -1.237 . . . . 8.61 107.66 178.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -84.51 -26.27 28.23 Favored 'General case' 0 C--O 1.195 -1.802 0 N-CA-C 103.357 -2.831 . . . . 9.23 103.357 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.82 -9.77 58.87 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 121.263 1.847 . . . . 10.68 110.999 179.004 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.01 -45.46 14.05 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.667 -1.151 . . . . 8.91 110.44 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -27.37 64.59 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.536 -0.756 . . . . 9.25 110.284 177.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.678 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 8.0 mt-10 -71.33 -43.61 66.69 Favored 'General case' 0 C--O 1.198 -1.608 0 C-N-CA 124.582 1.153 . . . . 9.86 108.982 177.044 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 9.5 t80 -57.93 -18.05 20.78 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 115.543 1.683 . . . . 16.16 115.543 179.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.653 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -108.14 -30.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 105.61 -1.996 . . . . 10.23 105.61 177.753 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . 0.753 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 1.1 tm0? -56.41 -33.31 65.67 Favored 'General case' 0 N--CA 1.478 0.933 1 N-CA-C 96.247 -5.464 . . . . 8.06 96.247 174.564 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . 0.446 ' N ' ' C ' ' A' ' 23' ' ' VAL . 89.2 t90 -89.83 -53.79 4.34 Favored 'General case' 0 N--CA 1.4 -2.968 0 CA-C-N 113.154 -1.839 . . . . 11.4 112.342 179.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.745 ' O ' ' HB2' ' A' ' 27' ' ' MET . 62.8 mt -68.81 51.75 0.08 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.269 -1.382 . . . . 20.94 107.269 178.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . 0.745 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 14.7 ttp 168.36 -86.51 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.118 0 N-CA-C 116.085 1.883 . . . . 15.46 116.085 -179.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . 0.753 ' HB2' ' O ' ' A' ' 24' ' ' GLN 0.326 3.0 t30 34.7 81.04 0.02 OUTLIER 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 116.578 2.066 . . . . 16.73 116.578 -175.52 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.5 p . . . . . 0 CA--C 1.477 -1.829 1 CA-C-O 111.261 -4.209 . . . . 14.63 112.469 175.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.751 ' CE1' HE22 ' A' ' 3' ' ' GLN . 13.3 p80 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 118.357 2.725 . . . . 17.64 118.357 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.582 ' N ' ' ND1' ' A' ' 1' ' ' HIS . 1.6 m -31.14 -63.62 0.16 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.541 1.536 . . . . 14.33 111.439 -179.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.751 HE22 ' CE1' ' A' ' 1' ' ' HIS . 1.7 pm0 -98.42 -0.76 42.95 Favored 'General case' 0 C--O 1.262 1.718 0 C-N-CA 123.874 0.869 . . . . 6.71 109.962 177.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.45 ' HA3' ' N ' ' A' ' 1' ' ' HIS . . . -48.16 72.65 0.0 OUTLIER Glycine 0 C--N 1.349 1.259 0 O-C-N 125.933 2.021 . . . . 7.33 116.556 178.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 8' ' ' SER 0.607 69.7 p 77.23 128.66 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.16 2 N-CA-C 134.472 8.693 . . . . 10.03 134.472 176.603 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -167.33 -22.35 0.02 OUTLIER 'General case' 0 C--O 1.263 1.793 0 CA-C-N 112.518 -2.128 . . . . 18.99 116.541 174.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . 0.698 ' C ' ' H ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -103.7 -27.88 12.01 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 104.759 -2.312 . . . . 15.66 104.759 177.92 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . 0.644 ' HB2' HG22 ' A' ' 5' ' ' THR . 74.4 m -83.98 47.65 1.34 Allowed 'General case' 0 C--O 1.246 0.899 1 N-CA-C 96.206 -5.479 . . . . 12.62 96.206 173.286 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.698 ' H ' ' C ' ' A' ' 7' ' ' THR . 42.9 t0 -162.16 -108.55 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 114.69 -1.141 . . . . 18.42 110.161 -179.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -22.86 -37.73 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 120.828 3.64 . . . . 14.54 120.828 -175.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.353 55.5 m -53.25 1.01 0.01 OUTLIER 'General case' 0 N--CA 1.436 -1.131 1 N-CA-C 125.058 5.207 . . . . 11.52 125.058 -172.748 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -96.72 -28.56 14.25 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 119.325 -0.95 . . . . 13.32 112.88 177.686 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -56.71 -28.1 60.29 Favored 'General case' 0 C--O 1.259 1.575 0 N-CA-C 103.874 -2.639 . . . . 21.98 103.874 176.708 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.15 -45.51 76.84 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 113.353 -1.749 . . . . 6.74 106.317 176.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -73.9 -19.45 60.7 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 114.925 -1.034 . . . . 15.52 108.73 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.7 m -77.21 -31.68 55.39 Favored 'General case' 0 C--O 1.268 2.039 0 N-CA-C 107.66 -1.237 . . . . 8.61 107.66 178.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -84.51 -26.27 28.23 Favored 'General case' 0 C--O 1.195 -1.802 0 N-CA-C 103.357 -2.831 . . . . 9.23 103.357 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.82 -9.77 58.87 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 121.263 1.847 . . . . 10.68 110.999 179.004 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.01 -45.46 14.05 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.667 -1.151 . . . . 8.91 110.44 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -27.37 64.59 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.536 -0.756 . . . . 9.25 110.284 177.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.678 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 8.0 mt-10 -71.33 -43.61 66.69 Favored 'General case' 0 C--O 1.198 -1.608 0 C-N-CA 124.582 1.153 . . . . 9.86 108.982 177.044 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 9.5 t80 -57.93 -18.05 20.78 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 115.543 1.683 . . . . 16.16 115.543 179.051 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.653 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -108.14 -30.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 105.61 -1.996 . . . . 10.23 105.61 177.753 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.753 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 1.1 tm0? -56.41 -33.31 65.67 Favored 'General case' 0 N--CA 1.478 0.933 1 N-CA-C 96.247 -5.464 . . . . 8.06 96.247 174.564 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.446 ' N ' ' C ' ' A' ' 23' ' ' VAL . 89.2 t90 -89.83 -53.79 4.34 Favored 'General case' 0 N--CA 1.4 -2.968 0 CA-C-N 113.154 -1.839 . . . . 11.4 112.342 179.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.745 ' O ' ' HB2' ' A' ' 27' ' ' MET . 62.8 mt -68.81 51.75 0.08 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.269 -1.382 . . . . 20.94 107.269 178.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . 0.745 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 14.7 ttp 168.36 -86.51 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.118 0 N-CA-C 116.085 1.883 . . . . 15.46 116.085 -179.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.753 ' HB2' ' O ' ' A' ' 24' ' ' GLN 0.326 3.0 t30 34.7 81.04 0.02 OUTLIER 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 116.578 2.066 . . . . 16.73 116.578 -175.52 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.5 p . . . . . 0 CA--C 1.477 -1.829 1 CA-C-O 111.261 -4.209 . . . . 14.63 112.469 175.028 . . . . . . . . 1 1 . 1 stop_ save_