data_1xy2_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 1xy2 _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' ' ' MPR . . . . . 1.087 ' S3 ' ' SG ' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 106.843 -1.54 . . . . 0.12 106.843 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.2 tt -76.25 115.96 18.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 122.013 0.911 . . . . 0.3 112.242 -178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 66.81 27.66 9.06 Favored 'General case' 1 C--N 1.495 6.897 1 CA-C-N 106.593 -4.821 . . . . 0.18 112.806 -169.679 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -154.94 63.68 0.65 Allowed 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 121.754 0.788 . . . . 0.19 108.996 168.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . 1.087 ' SG ' ' S3 ' ' A' ' 1' ' ' MPR . 50.8 t -126.16 95.34 39.28 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-O 115.561 -2.162 . . . . 0.11 106.88 178.438 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -78.28 -7.26 16.03 Favored 'Trans proline' 0 C--N 1.32 -0.925 0 O-C-N 123.685 1.361 . . . . 0.12 110.839 -171.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.67 -36.5 60.07 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.626 -0.671 . . . . 0.19 112.123 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.58 -176.94 42.2 Favored Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 119.801 -1.19 . . . . 0.13 112.223 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.185 0 CA-C-N 113.82 -1.19 . . . . 0.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MPR . . . . . 0.565 ' S3 ' ' SG ' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 106.843 -1.54 . . . . 0.12 106.843 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.2 tt -76.25 115.96 18.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 122.013 0.911 . . . . 0.29999999999999999 112.242 -178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 66.81 27.66 9.06 Favored 'General case' 1 C--N 1.495 6.897 1 CA-C-N 106.593 -4.821 . . . . 0.17999999999999999 112.806 -169.679 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -154.94 63.68 0.65 Allowed 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 121.754 0.788 . . . . 0.19 108.996 168.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . 0.565 ' SG ' ' S3 ' ' A' ' 1' ' ' MPR . 50.8 t -126.16 95.34 39.28 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-O 115.561 -2.162 . . . . 0.11 106.88 178.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -78.28 -7.26 16.03 Favored 'Trans proline' 0 C--N 1.32 -0.925 0 O-C-N 123.685 1.361 . . . . 0.12 110.839 -171.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.67 -36.5 60.07 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.626 -0.671 . . . . 0.19 112.123 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.58 -176.94 42.2 Favored Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 119.801 -1.19 . . . . 0.13 112.223 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.185 0 CA-C-N 113.82 -1.19 . . . . 0.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MPR . . . . . 0.565 ' S3 ' ' SG ' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 106.843 -1.54 . . . . 0.12 106.843 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.2 tt -76.25 115.96 18.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 122.013 0.911 . . . . 0.29999999999999999 112.242 -178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 66.81 27.66 9.06 Favored 'General case' 1 C--N 1.495 6.897 1 CA-C-N 106.593 -4.821 . . . . 0.17999999999999999 112.806 -169.679 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -154.94 63.68 0.65 Allowed 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 121.754 0.788 . . . . 0.19 108.996 168.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.565 ' SG ' ' S3 ' ' A' ' 1' ' ' MPR . 50.8 t -126.16 95.34 39.28 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-O 115.561 -2.162 . . . . 0.11 106.88 178.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -78.28 -7.26 16.03 Favored 'Trans proline' 0 C--N 1.32 -0.925 0 O-C-N 123.685 1.361 . . . . 0.12 110.839 -171.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.67 -36.5 60.07 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.626 -0.671 . . . . 0.19 112.123 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.58 -176.94 42.2 Favored Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 119.801 -1.19 . . . . 0.13 112.223 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.185 0 CA-C-N 113.82 -1.19 . . . . 0.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_