data_3pzz_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 3pzz _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.535 0 N-CA-C 111.379 -0.688 . . . . 8.5600000000000005 111.379 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.09 153.63 32.21 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.628 -0.508 . . . . 4.5300000000000002 109.628 -177.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.22 123.39 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 N-CA-C 106.15 -1.796 . . . . 8.2100000000000009 106.15 172.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.7 mt -125.27 126.92 71.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.634 -0.876 . . . . 9.2799999999999994 108.634 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.0 -167.82 24.52 Favored Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 109.932 -1.267 . . . . 14.289999999999999 109.932 -176.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.324 -0.536 0 O-C-N 121.921 -0.753 . . . . 17.969999999999999 111.178 177.494 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 111.553 -0.619 . . . . 8.8399999999999999 111.553 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.28 133.8 26.63 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.177 -1.045 . . . . 8.2899999999999991 108.177 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -112.9 120.02 61.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 106.537 -1.653 . . . . 10.34 106.537 168.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 34.5 mm -118.9 144.81 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.022 -0.536 . . . . 10.02 110.349 -169.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.05 31.91 46.23 Favored Glycine 0 N--CA 1.453 -0.188 0 N-CA-C 114.159 0.423 . . . . 8.4700000000000006 114.159 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.238 0.479 0 O-C-N 122.583 -0.363 . . . . 14.93 111.169 177.112 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.535 0 N-CA-C 111.379 -0.688 . . . . 8.56 111.379 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.09 153.63 32.21 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.628 -0.508 . . . . 4.53 109.628 -177.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.22 123.39 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 N-CA-C 106.15 -1.796 . . . . 8.21 106.15 172.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.7 mt -125.27 126.92 71.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.634 -0.876 . . . . 9.28 108.634 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.0 -167.82 24.52 Favored Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 109.932 -1.267 . . . . 14.29 109.932 -176.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.324 -0.536 0 O-C-N 121.921 -0.753 . . . . 17.97 111.178 177.494 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 111.553 -0.619 . . . . 8.84 111.553 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.28 133.8 26.63 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.177 -1.045 . . . . 8.29 108.177 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -112.9 120.02 61.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 106.537 -1.653 . . . . 10.34 106.537 168.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 34.5 mm -118.9 144.81 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.022 -0.536 . . . . 10.02 110.349 -169.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.05 31.91 46.23 Favored Glycine 0 N--CA 1.453 -0.188 0 N-CA-C 114.159 0.423 . . . . 8.47 114.159 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.238 0.479 0 O-C-N 122.583 -0.363 . . . . 14.93 111.169 177.112 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.535 0 N-CA-C 111.379 -0.688 . . . . 8.56 111.379 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.09 153.63 32.21 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.628 -0.508 . . . . 4.53 109.628 -177.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.22 123.39 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 N-CA-C 106.15 -1.796 . . . . 8.21 106.15 172.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.7 mt -125.27 126.92 71.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.634 -0.876 . . . . 9.28 108.634 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.0 -167.82 24.52 Favored Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 109.932 -1.267 . . . . 14.29 109.932 -176.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.324 -0.536 0 O-C-N 121.921 -0.753 . . . . 17.97 111.178 177.494 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 111.553 -0.619 . . . . 8.84 111.553 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.28 133.8 26.63 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.177 -1.045 . . . . 8.29 108.177 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -112.9 120.02 61.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 106.537 -1.653 . . . . 10.34 106.537 168.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 34.5 mm -118.9 144.81 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.022 -0.536 . . . . 10.02 110.349 -169.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.05 31.91 46.23 Favored Glycine 0 N--CA 1.453 -0.188 0 N-CA-C 114.159 0.423 . . . . 8.47 114.159 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.238 0.479 0 O-C-N 122.583 -0.363 . . . . 14.93 111.169 177.112 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_