data_3nhc_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 3nhc _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 N--CA 1.492 2.391 0 N-CA-C 114.054 0.382 . . . . 15.699999999999999 114.054 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.98 152.01 38.7 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.799 -0.445 . . . . 20.23 109.799 -176.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 86.8 mtp -144.74 141.46 29.27 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.135 0.897 . . . . 12.029999999999999 111.646 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 tt -135.44 128.94 32.43 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.025 1.33 . . . . 16.73 107.847 173.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.42 142.07 13.5 Favored Glycine 0 C--O 1.248 1.029 0 N-CA-C 110.92 -0.872 . . . . 13.98 110.92 175.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.0 p . . . . . 0 CA--C 1.504 -0.792 0 CA-C-O 121.356 0.598 . . . . 21.170000000000002 111.337 -170.438 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.416 0 N-CA-C 109.711 -1.355 . . . . 12.5 109.711 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -152.48 151.89 31.28 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.992 0.425 . . . . 20.77 111.981 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm -145.79 134.7 22.51 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.168 -0.924 . . . . 23.66 108.509 171.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -151.19 163.87 37.84 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 114.059 1.133 . . . . 16.370000000000001 114.059 177.327 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.95 153.91 24.53 Favored Glycine 0 CA--C 1.504 -0.631 0 CA-C-N 114.533 -1.212 . . . . 13.06 112.185 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.22 -0.449 0 N-CA-C 109.889 -0.412 . . . . 19.129999999999999 109.889 178.131 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 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 build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.391 0 N-CA-C 114.054 0.382 . . . . 15.7 114.054 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.98 152.01 38.7 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.799 -0.445 . . . . 20.23 109.799 -176.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 86.8 mtp -144.74 141.46 29.27 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.135 0.897 . . . . 19.65 111.646 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 4' ' ' LEU . 7.3 tt -135.44 128.94 32.43 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.025 1.33 . . . . 16.73 107.847 173.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.42 142.07 13.5 Favored Glycine 0 C--O 1.248 1.029 0 N-CA-C 110.92 -0.872 . . . . 13.98 110.92 175.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.0 p . . . . . 0 CA--C 1.504 -0.792 0 CA-C-O 121.356 0.598 . . . . 21.17 111.337 -170.438 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.416 0 N-CA-C 109.711 -1.355 . . . . 12.5 109.711 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -152.48 151.89 31.28 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.992 0.425 . . . . 20.77 111.981 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm -145.79 134.7 22.51 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.168 -0.924 . . . . 23.66 108.509 171.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -151.19 163.87 37.84 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 114.059 1.133 . . . . 16.37 114.059 177.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.95 153.91 24.53 Favored Glycine 0 CA--C 1.504 -0.631 0 CA-C-N 114.533 -1.212 . . . . 13.06 112.185 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.22 -0.449 0 N-CA-C 109.889 -0.412 . . . . 19.13 109.889 178.131 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 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 nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.391 0 N-CA-C 114.054 0.382 . . . . 15.7 114.054 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.98 152.01 38.7 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.799 -0.445 . . . . 20.23 109.799 -176.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 86.8 mtp -144.74 141.46 29.27 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.135 0.897 . . . . 19.65 111.646 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 4' ' ' LEU . 7.3 tt -135.44 128.94 32.43 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.025 1.33 . . . . 16.73 107.847 173.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.42 142.07 13.5 Favored Glycine 0 C--O 1.248 1.029 0 N-CA-C 110.92 -0.872 . . . . 13.98 110.92 175.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.0 p . . . . . 0 CA--C 1.504 -0.792 0 CA-C-O 121.356 0.598 . . . . 21.17 111.337 -170.438 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.416 0 N-CA-C 109.711 -1.355 . . . . 12.5 109.711 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -152.48 151.89 31.28 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.992 0.425 . . . . 20.77 111.981 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm -145.79 134.7 22.51 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.168 -0.924 . . . . 23.66 108.509 171.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -151.19 163.87 37.84 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 114.059 1.133 . . . . 16.37 114.059 177.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.95 153.91 24.53 Favored Glycine 0 CA--C 1.504 -0.631 0 CA-C-N 114.533 -1.212 . . . . 13.06 112.185 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.22 -0.449 0 N-CA-C 109.889 -0.412 . . . . 19.13 109.889 178.131 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 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 stop_ save_