data_6i1j_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6i1j _Structure_validation_residue.Date_analyzed 2019-08-30 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.623 0 N-CA-C 111.589 -0.604 . . . . 155.01 111.589 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -71.17 -57.65 4.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.405 1.482 . . . . 155.96 110.889 -176.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.25 -34.8 34.11 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.196 0 N-CA-C 107.715 -1.217 . . . . 138.35 107.715 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.23 -47.52 67.59 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.315 0.646 . . . . 160.56 111.012 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.53 -18.22 63.65 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.97 -0.559 . . . . 156.2 110.321 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.0 mt -77.76 -36.52 22.65 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 N-CA-C 107.491 -1.3 . . . . 124.68 107.491 173.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -71.35 -37.34 71.67 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 107.501 -1.296 . . . . 170.68 107.501 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -62.97 -30.79 71.86 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.805 0.812 . . . . 179.55 108.971 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.43 -48.2 29.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.239 1.816 . . . . 165.46 110.935 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mt -56.75 -31.22 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.303 0.641 . . . . 131.77 109.803 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.27 -60.07 4.18 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.958 0.885 . . . . 135.96 109.298 176.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.13 -22.69 63.94 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.407 -0.815 . . . . 156.34 111.539 -171.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -81.23 -31.69 33.75 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 123.631 0.772 . . . . 130.58 109.263 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -65.31 -45.84 82.73 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 107.034 -1.469 . . . . 150.11 107.034 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 18' ' ' ALA . 13.2 mttt -57.44 -66.65 0.43 Allowed 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 107.988 -1.116 . . . . 160.1 107.988 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -38.44 -42.01 0.7 Allowed 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 126.446 1.898 . . . . 125.51 109.851 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -60.49 -49.03 79.19 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.524 -0.917 . . . . 132.78 108.524 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -66.53 -43.33 85.47 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.686 -0.634 . . . . 116.05 110.823 -173.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.11 91.82 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 124.705 1.202 . . . . 98.06 111.044 -178.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.01 -37.4 77.14 Favored 'Isoleucine or valine' 0 C--O 1.247 0.954 0 O-C-N 123.83 0.706 . . . . 127.25 109.881 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -66.11 -43.57 86.83 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.323 0.583 . . . . 155.51 109.688 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -59.12 -44.99 92.03 Favored 'General case' 0 C--O 1.195 -1.807 0 C-N-CA 123.288 0.635 . . . . 135.41 112.354 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -65.05 -28.99 69.85 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-N 118.456 0.571 . . . . 122.52 110.037 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 mt -81.97 -42.77 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 120.189 -0.604 . . . . 105.46 109.629 -176.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.48 4.21 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.369 -0.604 . . . . 112.71 109.369 172.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -32.18 61.23 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 124.98 1.312 . . . . 101.87 112.095 -176.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 mt -67.92 -43.16 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 119.401 1.0 . . . . 124.43 108.783 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.61 -36.38 78.59 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.963 0.505 . . . . 134.17 111.826 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -84.5 0.0 51.39 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.974 -1.079 . . . . 148.62 111.49 175.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.775 0 N-CA-C 110.295 -1.122 . . . . 127.35 110.295 157.063 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' 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 orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.623 0 N-CA-C 111.589 -0.604 . . . . 155.01 111.589 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -71.17 -57.65 4.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.405 1.482 . . . . 155.96 110.889 -176.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.25 -34.8 34.11 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.196 0 N-CA-C 107.715 -1.217 . . . . 138.35 107.715 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.23 -47.52 67.59 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.315 0.646 . . . . 160.56 111.012 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.53 -18.22 63.65 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.97 -0.559 . . . . 156.2 110.321 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.0 mt -77.76 -36.52 22.65 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 N-CA-C 107.491 -1.3 . . . . 124.68 107.491 173.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -71.35 -37.34 71.67 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 107.501 -1.296 . . . . 170.68 107.501 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.3 tp-100 -62.97 -30.79 71.86 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.805 0.812 . . . . 179.55 108.971 178.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.43 -48.2 29.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.239 1.816 . . . . 165.46 110.935 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mt -56.75 -31.22 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.303 0.641 . . . . 131.77 109.803 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 8' ' ' GLN . . . -57.27 -60.07 4.18 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.958 0.885 . . . . 135.96 109.298 176.495 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.13 -22.69 63.94 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.407 -0.815 . . . . 156.34 111.539 -171.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -81.23 -31.69 33.75 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 123.631 0.772 . . . . 130.58 109.263 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -65.31 -45.84 82.73 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 107.034 -1.469 . . . . 150.11 107.034 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 18' ' ' ALA . 13.2 mttt -57.44 -66.65 0.43 Allowed 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 107.988 -1.116 . . . . 160.1 107.988 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 20' ' ' ILE . 50.4 tt0 -38.44 -42.01 0.7 Allowed 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 126.446 1.898 . . . . 125.51 109.851 178.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HIS . . . . . 0.561 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 7.9 m170 -60.49 -49.03 79.19 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.524 -0.917 . . . . 132.78 108.524 176.364 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -66.53 -43.33 85.47 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.686 -0.634 . . . . 116.05 110.823 -173.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.11 91.82 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 124.705 1.202 . . . . 98.06 111.044 -178.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.536 HG22 HD12 ' A' ' 24' ' ' ILE . 11.6 mt -69.01 -37.4 77.14 Favored 'Isoleucine or valine' 0 C--O 1.247 0.954 0 O-C-N 123.83 0.706 . . . . 127.25 109.881 -179.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 17' ' ' HIS . 31.2 mttt -66.11 -43.57 86.83 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.323 0.583 . . . . 155.51 109.688 179.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -59.12 -44.99 92.03 Favored 'General case' 0 C--O 1.195 -1.807 0 C-N-CA 123.288 0.635 . . . . 135.41 112.354 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -65.05 -28.99 69.85 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-N 118.456 0.571 . . . . 122.52 110.037 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . 0.536 HD12 HG22 ' A' ' 20' ' ' ILE . 3.2 mt -81.97 -42.77 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 120.189 -0.604 . . . . 105.46 109.629 -176.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.48 4.21 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.369 -0.604 . . . . 112.71 109.369 172.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -32.18 61.23 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 124.98 1.312 . . . . 101.87 112.095 -176.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 mt -67.92 -43.16 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 119.401 1.0 . . . . 124.43 108.783 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.61 -36.38 78.59 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.963 0.505 . . . . 134.17 111.826 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -84.5 0.0 51.39 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.974 -1.079 . . . . 148.62 111.49 175.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.775 0 N-CA-C 110.295 -1.122 . . . . 127.35 110.295 157.063 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' 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 build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.623 0 N-CA-C 111.589 -0.604 . . . . 155.00999999999999 111.589 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -71.17 -57.65 4.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.405 1.482 . . . . 155.96000000000001 110.889 -176.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.25 -34.8 34.11 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.196 0 N-CA-C 107.715 -1.217 . . . . 138.34999999999999 107.715 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.23 -47.52 67.59 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.315 0.646 . . . . 160.56 111.012 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.53 -18.22 63.65 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.97 -0.559 . . . . 156.19999999999999 110.321 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.0 mt -77.76 -36.52 22.65 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 N-CA-C 107.491 -1.3 . . . . 124.68000000000001 107.491 173.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -71.35 -37.34 71.67 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 107.501 -1.296 . . . . 170.68000000000001 107.501 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.3 tp-100 -62.97 -30.79 71.86 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.805 0.812 . . . . 179.55000000000001 108.971 178.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.43 -48.2 29.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.239 1.816 . . . . 165.46000000000001 110.935 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mt -56.75 -31.22 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.303 0.641 . . . . 131.77000000000001 109.803 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 8' ' ' GLN . . . -57.27 -60.07 4.18 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.958 0.885 . . . . 135.96000000000001 109.298 176.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.13 -22.69 63.94 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.407 -0.815 . . . . 156.34 111.539 -171.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -81.23 -31.69 33.75 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 123.631 0.772 . . . . 130.58000000000001 109.263 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -65.31 -45.84 82.73 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 107.034 -1.469 . . . . 150.11000000000001 107.034 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 18' ' ' ALA . 13.2 mttt -57.44 -66.65 0.43 Allowed 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 107.988 -1.116 . . . . 160.09999999999999 107.988 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 20' ' ' ILE . 50.4 tt0 -38.44 -42.01 0.7 Allowed 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 126.446 1.898 . . . . 125.51000000000001 109.851 178.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.561 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 7.9 m170 -60.49 -49.03 79.19 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.524 -0.917 . . . . 132.78 108.524 176.364 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -66.53 -43.33 85.47 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.686 -0.634 . . . . 116.05 110.823 -173.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.11 91.82 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 124.705 1.202 . . . . 98.060000000000002 111.044 -178.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.536 HG22 HD12 ' A' ' 24' ' ' ILE . 11.6 mt -69.01 -37.4 77.14 Favored 'Isoleucine or valine' 0 C--O 1.247 0.954 0 O-C-N 123.83 0.706 . . . . 127.25 109.881 -179.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 17' ' ' HIS . 31.2 mttt -66.11 -43.57 86.83 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.323 0.583 . . . . 155.50999999999999 109.688 179.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -59.12 -44.99 92.03 Favored 'General case' 0 C--O 1.195 -1.807 0 C-N-CA 123.288 0.635 . . . . 135.41 112.354 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -65.05 -28.99 69.85 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-N 118.456 0.571 . . . . 122.52 110.037 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.536 HD12 HG22 ' A' ' 20' ' ' ILE . 3.2 mt -81.97 -42.77 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 120.189 -0.604 . . . . 105.45999999999999 109.629 -176.311 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.48 4.21 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.369 -0.604 . . . . 112.70999999999999 109.369 172.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -32.18 61.23 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 124.98 1.312 . . . . 101.87 112.095 -176.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 mt -67.92 -43.16 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 119.401 1.0 . . . . 124.43000000000001 108.783 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.61 -36.38 78.59 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.963 0.505 . . . . 134.16999999999999 111.826 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -84.5 0.0 51.39 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.974 -1.079 . . . . 148.62 111.49 175.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.775 0 N-CA-C 110.295 -1.122 . . . . 127.34999999999999 110.295 157.063 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' 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 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_