data_1al1_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 1al1 _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 1.252 1.232 . . . . . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -100.75 18.2 20.01 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 117.061 -3.524 . . . . 25.0 117.305 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.22 -38.96 11.26 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 101.834 -3.395 . . . . 25.0 101.834 172.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . 0.575 ' CG ' ' CD1' ' A' ' 7' ' ' LEU . 34.0 tp -62.55 -36.84 83.92 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 113.392 -1.731 . . . . 25.0 106.907 177.587 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -64.37 -55.84 18.41 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 124.052 0.941 . . . . 25.0 110.197 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -60.45 -55.84 28.69 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 117.318 -1.753 . . . . 25.0 107.808 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tp -48.89 -50.58 34.33 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 124.764 1.29 . . . . 25.0 109.979 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . 0.575 ' CD1' ' CG ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -54.4 -34.5 61.4 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 116.482 -1.723 . . . . 25.0 111.204 -179.412 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.46 -24.77 50.18 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 121.5 1.954 . . . . 25.0 115.647 -177.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -20.36 28.82 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 128.508 3.63 . . . . 25.0 112.613 -178.82 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.63 149.89 45.15 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 114.294 1.22 . . . . 25.0 114.294 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -69.45 145.29 52.89 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.282 -1.781 . . . . 25.0 112.346 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.877 0 C-N-CA 128.14 2.781 . . . . 25.0 114.547 179.624 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 . . . . . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -100.75 18.2 20.01 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 117.061 -3.524 . . . . 25.0 117.305 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.22 -38.96 11.26 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 101.834 -3.395 . . . . 25.0 101.834 172.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . 1.122 ' HG ' HD12 ' A' ' 7' ' ' LEU . 34.0 tp -62.55 -36.84 83.92 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 113.392 -1.731 . . . . 25.0 106.907 177.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 3.6 tttp -64.37 -55.84 18.41 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 124.052 0.941 . . . . 25.0 110.197 -179.512 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -60.45 -55.84 28.69 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 117.318 -1.753 . . . . 25.0 107.808 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tp -48.89 -50.58 34.33 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 124.764 1.29 . . . . 25.0 109.979 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 1.122 HD12 ' HG ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -54.4 -34.5 61.4 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 116.482 -1.723 . . . . 25.0 111.204 -179.412 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 1.8 mt-10 -77.46 -24.77 50.18 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 121.5 1.954 . . . . 25.0 115.647 -177.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -20.36 28.82 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 128.508 3.63 . . . . 25.0 112.613 -178.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 10' ' ' LEU . 1.7 tp -71.63 149.89 45.15 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 114.294 1.22 . . . . 25.0 114.294 -177.189 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -69.45 145.29 52.89 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.282 -1.781 . . . . 25.0 112.346 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.877 0 C-N-CA 128.14 2.781 . . . . 25.0 114.547 179.624 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 . . . . . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -100.75 18.2 20.01 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 117.061 -3.524 . . . . 25.0 117.305 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.22 -38.96 11.26 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 101.834 -3.395 . . . . 25.0 101.834 172.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.122 ' HG ' HD12 ' A' ' 7' ' ' LEU . 34.0 tp -62.55 -36.84 83.92 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 113.392 -1.731 . . . . 25.0 106.907 177.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 3.6 tttp -64.37 -55.84 18.41 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 124.052 0.941 . . . . 25.0 110.197 -179.512 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -60.45 -55.84 28.69 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 117.318 -1.753 . . . . 25.0 107.808 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tp -48.89 -50.58 34.33 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 124.764 1.29 . . . . 25.0 109.979 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.122 HD12 ' HG ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -54.4 -34.5 61.4 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 116.482 -1.723 . . . . 25.0 111.204 -179.412 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 1.8 mt-10 -77.46 -24.77 50.18 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 121.5 1.954 . . . . 25.0 115.647 -177.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -20.36 28.82 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 128.508 3.63 . . . . 25.0 112.613 -178.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 10' ' ' LEU . 1.7 tp -71.63 149.89 45.15 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 114.294 1.22 . . . . 25.0 114.294 -177.189 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -69.45 145.29 52.89 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.282 -1.781 . . . . 25.0 112.346 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.877 0 C-N-CA 128.14 2.781 . . . . 25.0 114.547 179.624 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_