data_6vhb_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 6vhb _Structure_validation_residue.Date_analyzed 2020-02-14 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 CA--C 1.547 2.04 0 N-CA-C 108.125 -1.99 . . . . 2.92 108.125 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -101.06 149.97 23.4 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 126.656 2.033 . . . . 5.9 111.332 -172.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -130.32 134.78 47.45 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 118.825 -2.422 . . . . 9.96 110.753 -172.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -131.37 132.21 44.25 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 118.667 -2.521 . . . . 6.63 110.453 174.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -116.09 118.09 31.9 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 115.671 -2.109 . . . . 6.64 107.166 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -110.94 92.75 4.17 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 124.964 1.415 . . . . 6.19 109.005 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 C--O 1.279 2.648 0 CA-C-O 113.423 -3.18 . . . . 5.35 111.34 178.768 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.04 0 N-CA-C 108.125 -1.99 . . . . 2.92 108.125 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -101.06 149.97 23.4 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 126.656 2.033 . . . . 5.9 111.332 -172.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -130.32 134.78 47.45 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 118.825 -2.422 . . . . 9.96 110.753 -172.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -131.37 132.21 44.25 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 118.667 -2.521 . . . . 6.63 110.453 174.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -116.09 118.09 31.9 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 115.671 -2.109 . . . . 6.64 107.166 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -110.94 92.75 4.17 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 124.964 1.415 . . . . 6.19 109.005 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 C--O 1.279 2.648 0 CA-C-O 113.423 -3.18 . . . . 5.35 111.34 178.768 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.04 0 N-CA-C 108.125 -1.99 . . . . 2.92 108.125 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -101.06 149.97 23.4 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 126.656 2.033 . . . . 5.9 111.332 -172.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -130.32 134.78 47.45 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 118.825 -2.422 . . . . 9.96 110.753 -172.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -131.37 132.21 44.25 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 118.667 -2.521 . . . . 6.63 110.453 174.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -116.09 118.09 31.9 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 115.671 -2.109 . . . . 6.64 107.166 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -110.94 92.75 4.17 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 124.964 1.415 . . . . 6.19 109.005 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 C--O 1.279 2.648 0 CA-C-O 113.423 -3.18 . . . . 5.35 111.34 178.768 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_