data_6pq5_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 6pq5 _Structure_validation_residue.Date_analyzed 2020-04-10 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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 120.688 0.28 . . . . 14.91 110.911 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.02 159.72 32.54 Favored Glycine 0 CA--C 1.508 -0.371 0 C-N-CA 120.272 -0.966 . . . . 13.48 113.856 176.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.62 154.19 34.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.739 -0.73 . . . . 13.07 110.738 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.43 149.04 26.38 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.584 -0.735 . . . . 13.24 109.799 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 160.11 40.84 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.021 0.438 . . . . 15.34 111.462 175.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.489 0 CA-C-O 122.265 1.031 . . . . 17.92 110.917 -177.561 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 109.231 -0.655 . . . . 14.83 109.231 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.57 151.16 23.23 Favored Glycine 0 N--CA 1.461 0.326 0 N-CA-C 112.011 -0.436 . . . . 13.74 112.011 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.81 153.5 33.24 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 122.403 0.281 . . . . 13.05 111.637 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.27 151.97 27.14 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.189 -0.46 . . . . 14.17 111.43 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.66 153.34 33.11 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 122.846 0.458 . . . . 15.21 112.101 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.516 0 CA-C-N 116.269 -0.423 . . . . 17.92 111.174 -179.737 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MLI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' MLI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 120.688 0.28 . . . . 14.91 110.911 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.02 159.72 32.54 Favored Glycine 0 CA--C 1.508 -0.371 0 C-N-CA 120.272 -0.966 . . . . 13.48 113.856 176.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.62 154.19 34.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.739 -0.73 . . . . 13.07 110.738 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.43 149.04 26.38 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.584 -0.735 . . . . 13.24 109.799 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 160.11 40.84 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.021 0.438 . . . . 15.34 111.462 175.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.489 0 CA-C-O 122.265 1.031 . . . . 17.92 110.917 -177.561 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 109.231 -0.655 . . . . 14.83 109.231 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.57 151.16 23.23 Favored Glycine 0 N--CA 1.461 0.326 0 N-CA-C 112.011 -0.436 . . . . 13.74 112.011 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.81 153.5 33.24 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 122.403 0.281 . . . . 13.05 111.637 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.27 151.97 27.14 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.189 -0.46 . . . . 14.17 111.43 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.66 153.34 33.11 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 122.846 0.458 . . . . 15.21 112.101 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.516 0 CA-C-N 116.269 -0.423 . . . . 17.92 111.174 -179.737 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MLI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' MLI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 120.688 0.28 . . . . 14.91 110.911 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.02 159.72 32.54 Favored Glycine 0 CA--C 1.508 -0.371 0 C-N-CA 120.272 -0.966 . . . . 13.48 113.856 176.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.62 154.19 34.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.739 -0.73 . . . . 13.07 110.738 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.43 149.04 26.38 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.584 -0.735 . . . . 13.24 109.799 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 160.11 40.84 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.021 0.438 . . . . 15.34 111.462 175.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.489 0 CA-C-O 122.265 1.031 . . . . 17.920000000000002 110.917 -177.561 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 109.231 -0.655 . . . . 14.83 109.231 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.57 151.16 23.23 Favored Glycine 0 N--CA 1.461 0.326 0 N-CA-C 112.011 -0.436 . . . . 13.74 112.011 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.81 153.5 33.24 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 122.403 0.281 . . . . 13.050000000000001 111.637 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.27 151.97 27.14 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.189 -0.46 . . . . 14.17 111.43 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.66 153.34 33.11 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 122.846 0.458 . . . . 15.210000000000001 112.101 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.516 0 CA-C-N 116.269 -0.423 . . . . 17.920000000000002 111.174 -179.737 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MLI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' MLI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_