data_3nvh_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 3nvh _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' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 120.988 0.423 . . . . 18.27 112.019 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.8 mt -125.08 127.67 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 106.774 -1.565 . . . . 12.99 106.774 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -123.33 113.5 18.94 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.127 0.571 . . . . 9.2300000000000004 112.082 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -96.6 103.16 15.05 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 107.364 -1.347 . . . . 9.0399999999999991 107.364 168.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.84 171.49 14.02 Favored Glycine 0 CA--C 1.502 -0.734 0 C-N-CA 121.468 -0.396 . . . . 7.5599999999999996 112.287 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -83.9 153.61 23.88 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 114.948 -0.626 . . . . 9.6300000000000008 111.428 179.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.487 1.399 0 O-C-N 123.937 0.773 . . . . 17.129999999999999 111.633 169.596 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TFA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 120.988 0.423 . . . . 18.27 112.019 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.8 mt -125.08 127.67 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 106.774 -1.565 . . . . 12.99 106.774 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -123.33 113.5 18.94 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.127 0.571 . . . . 9.23 112.082 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -96.6 103.16 15.05 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 107.364 -1.347 . . . . 9.04 107.364 168.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.84 171.49 14.02 Favored Glycine 0 CA--C 1.502 -0.734 0 C-N-CA 121.468 -0.396 . . . . 7.56 112.287 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -83.9 153.61 23.88 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 114.948 -0.626 . . . . 9.63 111.428 179.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.487 1.399 0 O-C-N 123.937 0.773 . . . . 17.13 111.633 169.596 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TFA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 120.988 0.423 . . . . 18.27 112.019 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.8 mt -125.08 127.67 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 106.774 -1.565 . . . . 12.99 106.774 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -123.33 113.5 18.94 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.127 0.571 . . . . 9.23 112.082 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -96.6 103.16 15.05 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 107.364 -1.347 . . . . 9.04 107.364 168.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.84 171.49 14.02 Favored Glycine 0 CA--C 1.502 -0.734 0 C-N-CA 121.468 -0.396 . . . . 7.56 112.287 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -83.9 153.61 23.88 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 114.948 -0.626 . . . . 9.63 111.428 179.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.487 1.399 0 O-C-N 123.937 0.773 . . . . 17.13 111.633 169.596 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TFA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_