data_3c3h_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 3c3h _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 18.789999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.3 tpt -57.31 -49.94 74.5 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.127 -1.851 . . . . 36.960000000000001 113.448 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -82.22 -29.45 31.38 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.641 0.776 . . . . 21.780000000000001 112.94 -172.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.9 mt -65.55 -55.48 19.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 113.772 1.027 . . . . 14.52 113.772 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . . . -64.52 -46.37 83.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 123.587 0.554 . . . . 15.109999999999999 111.3 -177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -61.8 -41.96 98.4 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.012 1.115 . . . . 21.870000000000001 114.012 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.91 -42.35 81.24 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.115 0.87 . . . . 12.449999999999999 112.615 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.37 -53.0 63.23 Favored 'General case' 0 C--O 1.197 -1.704 0 CA-C-N 115.01 -0.995 . . . . 20.870000000000001 112.92 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.1 mt -66.41 -54.84 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.957 0 N-CA-C 109.543 -0.54 . . . . 9.4499999999999993 109.543 -173.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' B3L . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . 0.274 8.4 p -60.99 -38.42 85.95 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 118.105 2.631 . . . . 12.27 118.105 -179.955 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -81.47 -32.77 32.37 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 120.544 -1.347 . . . . 11.199999999999999 113.653 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' B3L . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -58.51 -60.37 3.9 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.571 1.323 . . . . 19.84 114.571 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -52.92 -39.43 62.8 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 120.067 -0.653 . . . . 14.609999999999999 111.758 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.28 -50.62 72.9 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 113.798 1.036 . . . . 28.010000000000002 113.798 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -75.66 -42.41 51.36 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 112.673 0.62 . . . . 16.739999999999998 112.673 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -56.01 -46.86 78.64 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 120.777 3.621 . . . . 14.0 120.777 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.82 70.54 Favored 'General case' 0 C--O 1.199 -1.587 0 N-CA-C 111.856 0.317 . . . . 14.99 111.856 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mm -64.2 -49.19 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-N 121.048 1.749 . . . . 18.239999999999998 114.019 144.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -66.3 -35.69 81.04 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 116.046 1.869 . . . . 21.219999999999999 116.046 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.85 -41.59 74.67 Favored 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 114.508 1.299 . . . . 14.43 114.508 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' A' ' 46' ' ' HOH . 26.3 mt -72.59 -34.17 67.24 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 118.322 -1.351 . . . . 15.06 112.185 -179.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' BAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -133.44 148.94 51.78 Favored 'General case' 0 C--O 1.251 1.158 0 C-N-CA 124.953 1.301 . . . . 30.690000000000001 109.319 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.583 0 O-C-N 124.565 1.166 . . . . 21.219999999999999 108.72 178.914 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . 0.538 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 18.530000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.3 tpt -57.31 -49.94 74.5 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.127 -1.851 . . . . 35.609999999999999 113.448 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -82.22 -29.45 31.38 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.641 0.776 . . . . 21.140000000000001 112.94 -172.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.9 mt -65.55 -55.48 19.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 113.772 1.027 . . . . 14.52 113.772 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . . . -64.52 -46.37 83.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 123.587 0.554 . . . . 14.31 111.3 -177.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -61.8 -41.96 98.4 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.012 1.115 . . . . 19.84 114.012 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.91 -42.35 81.24 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.115 0.87 . . . . 11.16 112.615 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.37 -53.0 63.23 Favored 'General case' 0 C--O 1.197 -1.704 0 CA-C-N 115.01 -0.995 . . . . 20.870000000000001 112.92 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.1 mt -66.41 -54.84 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.957 0 N-CA-C 109.543 -0.54 . . . . 9.4499999999999993 109.543 -173.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' B3L . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . 0.274 8.4 p -60.99 -38.42 85.95 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 118.105 2.631 . . . . 12.27 118.105 -179.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -81.47 -32.77 32.37 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 120.544 -1.347 . . . . 10.289999999999999 113.653 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' B3L . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -58.51 -60.37 3.9 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.571 1.323 . . . . 19.370000000000001 114.571 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -52.92 -39.43 62.8 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 120.067 -0.653 . . . . 12.73 111.758 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.28 -50.62 72.9 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 113.798 1.036 . . . . 28.010000000000002 113.798 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -75.66 -42.41 51.36 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 112.673 0.62 . . . . 16.739999999999998 112.673 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -56.01 -46.86 78.64 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 120.777 3.621 . . . . 14.0 120.777 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.82 70.54 Favored 'General case' 0 C--O 1.199 -1.587 0 N-CA-C 111.856 0.317 . . . . 14.99 111.856 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mm -64.2 -49.19 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-N 121.048 1.749 . . . . 16.98 114.019 144.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -66.3 -35.69 81.04 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 116.046 1.869 . . . . 18.899999999999999 116.046 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.85 -41.59 74.67 Favored 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 114.508 1.299 . . . . 13.6 114.508 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' A' ' 46' ' ' HOH . 26.3 mt -72.59 -34.17 67.24 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 118.322 -1.351 . . . . 13.5 112.185 -179.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' BAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -133.44 148.94 51.78 Favored 'General case' 0 C--O 1.251 1.158 0 C-N-CA 124.953 1.301 . . . . 30.690000000000001 109.319 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.583 0 O-C-N 124.565 1.166 . . . . 20.760000000000002 108.72 178.914 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . 0.538 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 18.530000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.3 tpt -57.31 -49.94 74.5 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.127 -1.851 . . . . 35.609999999999999 113.448 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -82.22 -29.45 31.38 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.641 0.776 . . . . 21.140000000000001 112.94 -172.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.9 mt -65.55 -55.48 19.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 113.772 1.027 . . . . 14.52 113.772 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . . . -64.52 -46.37 83.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 123.587 0.554 . . . . 14.31 111.3 -177.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -61.8 -41.96 98.4 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.012 1.115 . . . . 19.84 114.012 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.91 -42.35 81.24 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.115 0.87 . . . . 11.16 112.615 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.37 -53.0 63.23 Favored 'General case' 0 C--O 1.197 -1.704 0 CA-C-N 115.01 -0.995 . . . . 20.870000000000001 112.92 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.1 mt -66.41 -54.84 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.957 0 N-CA-C 109.543 -0.54 . . . . 9.4499999999999993 109.543 -173.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' B3L . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . 0.274 8.4 p -60.99 -38.42 85.95 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 118.105 2.631 . . . . 12.27 118.105 -179.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -81.47 -32.77 32.37 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 120.544 -1.347 . . . . 10.289999999999999 113.653 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' B3L . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -58.51 -60.37 3.9 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.571 1.323 . . . . 19.370000000000001 114.571 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -52.92 -39.43 62.8 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 120.067 -0.653 . . . . 12.73 111.758 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.28 -50.62 72.9 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 113.798 1.036 . . . . 28.010000000000002 113.798 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -75.66 -42.41 51.36 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 112.673 0.62 . . . . 16.739999999999998 112.673 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -56.01 -46.86 78.64 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 120.777 3.621 . . . . 14.0 120.777 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.82 70.54 Favored 'General case' 0 C--O 1.199 -1.587 0 N-CA-C 111.856 0.317 . . . . 14.99 111.856 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mm -64.2 -49.19 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-N 121.048 1.749 . . . . 16.98 114.019 144.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -66.3 -35.69 81.04 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 116.046 1.869 . . . . 18.899999999999999 116.046 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.85 -41.59 74.67 Favored 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 114.508 1.299 . . . . 13.6 114.508 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' A' ' 46' ' ' HOH . 26.3 mt -72.59 -34.17 67.24 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 118.322 -1.351 . . . . 13.5 112.185 -179.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' BAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -133.44 148.94 51.78 Favored 'General case' 0 C--O 1.251 1.158 0 C-N-CA 124.953 1.301 . . . . 30.690000000000001 109.319 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.583 0 O-C-N 124.565 1.166 . . . . 20.760000000000002 108.72 178.914 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . 0.538 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_