data_3nhd_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 3nhd _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 1.491 2.33 0 N-CA-C 111.222 -0.751 . . . . 9.2200000000000006 111.222 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -143.9 162.6 35.7 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 113.037 0.754 . . . . 7.1200000000000001 113.037 170.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.21 131.47 22.73 Favored 'Isoleucine or valine' 0 C--O 1.249 1.046 0 C-N-CA 124.374 1.07 . . . . 3.98 110.177 176.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.41 122.47 47.42 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.01 -2.219 . . . . 12.210000000000001 105.01 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.58 -36.04 82.38 Favored Glycine 0 N--CA 1.475 1.256 0 C-N-CA 120.507 -0.854 . . . . 13.84 111.06 -174.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.509 -0.615 0 CA-C-O 121.982 0.896 . . . . 16.699999999999999 112.316 -177.869 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.931 0 N-CA-C 111.335 -0.706 . . . . 12.380000000000001 111.335 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -59.29 158.36 9.33 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.64 0.607 . . . . 12.65 112.64 171.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.77 119.97 35.03 Favored 'Isoleucine or valine' 0 C--O 1.254 1.304 0 O-C-N 125.321 1.638 . . . . 9.4700000000000006 109.603 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 mt -109.15 135.67 49.89 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.243 1.201 . . . . 8.3399999999999999 114.243 169.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.31 132.31 6.17 Favored Glycine 0 C--O 1.243 0.688 0 CA-C-N 115.983 -0.553 . . . . 9.5299999999999994 112.886 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.239 0.516 0 CA-C-O 124.98 2.324 . . . . 16.41 107.979 -178.945 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 111.222 -0.751 . . . . 9.22 111.222 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -143.9 162.6 35.7 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 113.037 0.754 . . . . 7.12 113.037 170.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . 0.7 HG13 HD23 ' B' ' 4' ' ' LEU . 20.7 t -142.21 131.47 22.73 Favored 'Isoleucine or valine' 0 C--O 1.249 1.046 0 C-N-CA 124.374 1.07 . . . . 3.98 110.177 176.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.41 122.47 47.42 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.01 -2.219 . . . . 12.21 105.01 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.58 -36.04 82.38 Favored Glycine 0 N--CA 1.475 1.256 0 C-N-CA 120.507 -0.854 . . . . 13.84 111.06 -174.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.509 -0.615 0 CA-C-O 121.982 0.896 . . . . 16.7 112.316 -177.869 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.931 0 N-CA-C 111.335 -0.706 . . . . 12.38 111.335 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -59.29 158.36 9.33 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.64 0.607 . . . . 12.65 112.64 171.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.77 119.97 35.03 Favored 'Isoleucine or valine' 0 C--O 1.254 1.304 0 O-C-N 125.321 1.638 . . . . 9.47 109.603 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . 0.7 HD23 HG13 ' A' ' 3' ' ' VAL . 13.4 mt -109.15 135.67 49.89 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.243 1.201 . . . . 8.34 114.243 169.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.31 132.31 6.17 Favored Glycine 0 C--O 1.243 0.688 0 CA-C-N 115.983 -0.553 . . . . 9.53 112.886 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.239 0.516 0 CA-C-O 124.98 2.324 . . . . 16.41 107.979 -178.945 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 111.222 -0.751 . . . . 9.22 111.222 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -143.9 162.6 35.7 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 113.037 0.754 . . . . 7.12 113.037 170.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.7 HG13 HD23 ' B' ' 4' ' ' LEU . 20.7 t -142.21 131.47 22.73 Favored 'Isoleucine or valine' 0 C--O 1.249 1.046 0 C-N-CA 124.374 1.07 . . . . 3.98 110.177 176.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.41 122.47 47.42 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.01 -2.219 . . . . 12.21 105.01 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.58 -36.04 82.38 Favored Glycine 0 N--CA 1.475 1.256 0 C-N-CA 120.507 -0.854 . . . . 13.84 111.06 -174.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.509 -0.615 0 CA-C-O 121.982 0.896 . . . . 16.7 112.316 -177.869 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.931 0 N-CA-C 111.335 -0.706 . . . . 12.38 111.335 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -59.29 158.36 9.33 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.64 0.607 . . . . 12.65 112.64 171.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.77 119.97 35.03 Favored 'Isoleucine or valine' 0 C--O 1.254 1.304 0 O-C-N 125.321 1.638 . . . . 9.47 109.603 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.7 HD23 HG13 ' A' ' 3' ' ' VAL . 13.4 mt -109.15 135.67 49.89 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.243 1.201 . . . . 8.34 114.243 169.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.31 132.31 6.17 Favored Glycine 0 C--O 1.243 0.688 0 CA-C-N 115.983 -0.553 . . . . 9.53 112.886 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.239 0.516 0 CA-C-O 124.98 2.324 . . . . 16.41 107.979 -178.945 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 stop_ save_