data_5u5a_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 5u5a _Structure_validation_residue.Date_analyzed 2017-03-07 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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 225.09999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.88 -81.68 0.02 OUTLIER 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.231 0.456 . . . . 214.84999999999999 112.231 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 6' ' ' LYS . 23.0 mt -46.29 -47.39 6.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 O-C-N 124.123 0.89 . . . . 186.75 110.703 -175.599 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.41 -67.63 0.24 Allowed 'General case' 0 C--O 1.24 0.605 0 CA-C-O 120.956 0.408 . . . . 201.13999999999999 111.551 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.88 79.04 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.228 -0.589 . . . . 195.5 111.082 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.15 -45.35 91.2 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.124 -0.63 . . . . 175.06999999999999 111.116 178.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 2' ' ' ILE . 35.8 mtmm -59.68 -40.79 88.97 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 108.804 -0.813 . . . . 156.34999999999999 108.804 177.57 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -56.9 -35.67 69.26 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.156 -0.683 . . . . 159.12 109.156 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -64.79 -57.24 9.44 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 119.911 -0.716 . . . . 130.81 110.615 173.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.02 -58.92 4.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 120.825 0.345 . . . . 128.83000000000001 110.907 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.36 -52.08 6.08 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.42 -0.355 . . . . 123.84 111.836 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.4 mt -59.87 -44.96 93.87 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.501 -0.48 . . . . 124.06999999999999 111.096 -176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -55.26 -42.6 73.71 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.485 -0.886 . . . . 118.14 110.105 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.19 -38.48 86.68 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.762 -0.375 . . . . 156.72999999999999 111.618 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -57.91 -51.91 67.69 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 118.745 -1.182 . . . . 133.63 109.353 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 mt -50.31 -59.64 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.038 0.447 . . . . 107.41 110.385 -175.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.11 -52.69 8.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.323 -0.398 . . . . 116.38 110.907 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.88 -57.66 7.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.882 0.373 . . . . 110.76000000000001 110.291 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.41 -50.54 51.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.051 -0.522 . . . . 108.25 110.839 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -54.8 -51.21 66.51 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.902 -0.719 . . . . 112.44 110.465 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -54.22 -47.32 72.29 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.037 -0.665 . . . . 132.69 110.513 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -50.45 -51.64 44.97 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 120.552 -0.459 . . . . 156.38 110.769 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -57.2 -47.12 84.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 120.122 -0.631 . . . . 124.12 109.737 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.89 -49.48 59.21 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.797 0.332 . . . . 143.86000000000001 110.862 175.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.27 -56.05 17.28 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.074 0.464 . . . . 142.41 110.781 175.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.7 -28.18 67.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 138.88999999999999 110.731 -178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -85.03 -21.02 29.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.78 -0.646 . . . . 190.34999999999999 109.932 -175.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.98 43.51 1.54 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.96 -0.856 . . . . 184.09 110.96 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.614 -0.293 . . . . 173.24000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 225.09999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.88 -81.68 0.02 OUTLIER 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.231 0.456 . . . . 214.84999999999999 112.231 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.0 mt -46.29 -47.39 6.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 O-C-N 124.123 0.89 . . . . 186.75 110.703 -175.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.41 -67.63 0.24 Allowed 'General case' 0 C--O 1.24 0.605 0 CA-C-O 120.956 0.408 . . . . 201.13999999999999 111.551 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.88 79.04 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.228 -0.589 . . . . 195.5 111.082 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.15 -45.35 91.2 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.124 -0.63 . . . . 175.06999999999999 111.116 178.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 35.8 mtmm -59.68 -40.79 88.97 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 108.804 -0.813 . . . . 156.34999999999999 108.804 177.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 3.6 tt0 -56.9 -35.67 69.26 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.156 -0.683 . . . . 159.12 109.156 179.13 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 42.5 m-80 -64.79 -57.24 9.44 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 119.911 -0.716 . . . . 130.81 110.615 173.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.02 -58.92 4.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 120.825 0.345 . . . . 128.83000000000001 110.907 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.36 -52.08 6.08 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.42 -0.355 . . . . 123.84 111.836 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 30.4 mt -59.87 -44.96 93.87 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.501 -0.48 . . . . 124.06999999999999 111.096 -176.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -55.26 -42.6 73.71 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.485 -0.886 . . . . 118.14 110.105 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.19 -38.48 86.68 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.762 -0.375 . . . . 156.72999999999999 111.618 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -57.91 -51.91 67.69 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 118.745 -1.182 . . . . 133.63 109.353 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 mt -50.31 -59.64 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.038 0.447 . . . . 107.41 110.385 -175.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.11 -52.69 8.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.323 -0.398 . . . . 116.38 110.907 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.88 -57.66 7.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.882 0.373 . . . . 110.76000000000001 110.291 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.41 -50.54 51.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.051 -0.522 . . . . 108.25 110.839 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -54.8 -51.21 66.51 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.902 -0.719 . . . . 112.44 110.465 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -54.22 -47.32 72.29 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.037 -0.665 . . . . 132.69 110.513 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' OE2' ' HA ' ' A' ' 22' ' ' GLU . 38.3 tp10 -50.45 -51.64 44.97 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 120.552 -0.459 . . . . 156.38 110.769 178.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -57.2 -47.12 84.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 120.122 -0.631 . . . . 124.12 109.737 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.89 -49.48 59.21 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.797 0.332 . . . . 143.86000000000001 110.862 175.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.27 -56.05 17.28 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.074 0.464 . . . . 142.41 110.781 175.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.7 -28.18 67.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 138.88999999999999 110.731 -178.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -85.03 -21.02 29.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.78 -0.646 . . . . 190.34999999999999 109.932 -175.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.98 43.51 1.54 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.96 -0.856 . . . . 184.09 110.96 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.614 -0.293 . . . . 173.24000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 225.09999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.88 -81.68 0.02 OUTLIER 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.231 0.456 . . . . 214.84999999999999 112.231 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.0 mt -46.29 -47.39 6.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 O-C-N 124.123 0.89 . . . . 186.75 110.703 -175.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.41 -67.63 0.24 Allowed 'General case' 0 C--O 1.24 0.605 0 CA-C-O 120.956 0.408 . . . . 201.13999999999999 111.551 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.88 79.04 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.228 -0.589 . . . . 195.5 111.082 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.15 -45.35 91.2 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.124 -0.63 . . . . 175.06999999999999 111.116 178.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 35.8 mtmm -59.68 -40.79 88.97 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 108.804 -0.813 . . . . 156.34999999999999 108.804 177.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 3.6 tt0 -56.9 -35.67 69.26 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.156 -0.683 . . . . 159.12 109.156 179.13 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 42.5 m-80 -64.79 -57.24 9.44 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 119.911 -0.716 . . . . 130.81 110.615 173.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.02 -58.92 4.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 120.825 0.345 . . . . 128.83000000000001 110.907 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.36 -52.08 6.08 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.42 -0.355 . . . . 123.84 111.836 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 30.4 mt -59.87 -44.96 93.87 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.501 -0.48 . . . . 124.06999999999999 111.096 -176.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -55.26 -42.6 73.71 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.485 -0.886 . . . . 118.14 110.105 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.19 -38.48 86.68 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.762 -0.375 . . . . 156.72999999999999 111.618 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -57.91 -51.91 67.69 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 118.745 -1.182 . . . . 133.63 109.353 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 mt -50.31 -59.64 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.038 0.447 . . . . 107.41 110.385 -175.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.11 -52.69 8.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.323 -0.398 . . . . 116.38 110.907 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.88 -57.66 7.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.882 0.373 . . . . 110.76000000000001 110.291 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.41 -50.54 51.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.051 -0.522 . . . . 108.25 110.839 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -54.8 -51.21 66.51 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.902 -0.719 . . . . 112.44 110.465 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -54.22 -47.32 72.29 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.037 -0.665 . . . . 132.69 110.513 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' OE2' ' HA ' ' A' ' 22' ' ' GLU . 38.3 tp10 -50.45 -51.64 44.97 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 120.552 -0.459 . . . . 156.38 110.769 178.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -57.2 -47.12 84.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 120.122 -0.631 . . . . 124.12 109.737 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.89 -49.48 59.21 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.797 0.332 . . . . 143.86000000000001 110.862 175.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.27 -56.05 17.28 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.074 0.464 . . . . 142.41 110.781 175.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.7 -28.18 67.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 138.88999999999999 110.731 -178.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -85.03 -21.02 29.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.78 -0.646 . . . . 190.34999999999999 109.932 -175.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.98 43.51 1.54 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.96 -0.856 . . . . 184.09 110.96 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.614 -0.293 . . . . 173.24000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 stop_ save_