data_3fth_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 3fth _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' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 119.808 -0.139 . . . . 19.350000000000001 110.68 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -138.91 132.89 31.11 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 124.049 0.843 . . . . 11.970000000000001 111.577 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.63 133.5 48.29 Favored 'General case' 0 C--O 1.267 2.024 0 O-C-N 125.861 1.975 . . . . 3.5800000000000001 111.107 174.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.65 140.22 43.55 Favored 'Isoleucine or valine' 0 C--O 1.262 1.754 0 C-N-CA 124.198 0.999 . . . . 4.5 109.102 168.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -137.74 133.63 34.36 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.109 -1.405 . . . . 7.6399999999999997 109.111 170.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 p -138.16 140.65 39.93 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 109.223 -0.658 . . . . 7.25 109.223 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 CA--C 1.555 1.167 0 O-C-N 124.304 1.002 . . . . 14.82 112.933 173.191 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 12' ' ' HOH . 2.1 m120 . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 120.609 0.242 . . . . 23.059999999999999 110.956 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -150.3 130.63 13.73 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.501 0.721 . . . . 10.9 112.551 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 tt -134.66 130.98 37.2 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.368 1.067 . . . . 6.5099999999999998 109.815 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 93.1 t -132.82 136.29 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.754 0.422 . . . . 7.0199999999999996 111.767 167.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -133.38 120.23 20.69 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.573 1.171 . . . . 11.67 110.627 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -121.09 140.76 51.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.708 0.766 . . . . 12.94 112.581 169.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.238 0.484 0 CA-C-N 114.607 -1.178 . . . . 17.420000000000002 109.958 178.825 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 orig full ' A' A ' 12' ' ' HOH . . . . . 0.47 ' O ' ' ND2' ' B' ' 1' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 119.808 -0.139 . . . . 19.35 110.68 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -138.91 132.89 31.11 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 124.049 0.843 . . . . 11.97 111.577 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.63 133.5 48.29 Favored 'General case' 0 C--O 1.267 2.024 0 O-C-N 125.861 1.975 . . . . 3.58 111.107 174.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' O ' HD22 ' B' ' 3' ' ' LEU . 7.6 p -136.65 140.22 43.55 Favored 'Isoleucine or valine' 0 C--O 1.262 1.754 0 C-N-CA 124.198 0.999 . . . . 4.5 109.102 168.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -137.74 133.63 34.36 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.109 -1.405 . . . . 7.64 109.111 170.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 p -138.16 140.65 39.93 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 109.223 -0.658 . . . . 7.25 109.223 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 CA--C 1.555 1.167 0 O-C-N 124.304 1.002 . . . . 14.82 112.933 173.191 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 120.609 0.242 . . . . 23.06 110.956 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PHE . . . . . 0.423 ' CE2' HG23 ' B' ' 4' ' ' VAL . 66.5 t80 -150.3 130.63 13.73 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.501 0.721 . . . . 10.9 112.551 -179.586 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . 0.551 HD23 ' N ' ' B' ' 4' ' ' VAL . 1.8 tt -134.66 130.98 37.2 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.368 1.067 . . . . 6.51 109.815 177.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . 0.551 ' N ' HD23 ' B' ' 3' ' ' LEU . 93.1 t -132.82 136.29 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.754 0.422 . . . . 7.02 111.767 167.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -133.38 120.23 20.69 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.573 1.171 . . . . 11.67 110.627 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -121.09 140.76 51.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.708 0.766 . . . . 12.94 112.581 169.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.238 0.484 0 CA-C-N 114.607 -1.178 . . . . 17.42 109.958 178.825 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 12' ' ' 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' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 119.808 -0.139 . . . . 19.35 110.68 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -138.91 132.89 31.11 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 124.049 0.843 . . . . 11.97 111.577 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.63 133.5 48.29 Favored 'General case' 0 C--O 1.267 2.024 0 O-C-N 125.861 1.975 . . . . 3.58 111.107 174.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' O ' HD22 ' B' ' 3' ' ' LEU . 7.6 p -136.65 140.22 43.55 Favored 'Isoleucine or valine' 0 C--O 1.262 1.754 0 C-N-CA 124.198 0.999 . . . . 4.5 109.102 168.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -137.74 133.63 34.36 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.109 -1.405 . . . . 7.64 109.111 170.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 p -138.16 140.65 39.93 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 109.223 -0.658 . . . . 7.25 109.223 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 CA--C 1.555 1.167 0 O-C-N 124.304 1.002 . . . . 14.82 112.933 173.191 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 120.609 0.242 . . . . 23.06 110.956 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.423 ' CE2' HG23 ' B' ' 4' ' ' VAL . 66.5 t80 -150.3 130.63 13.73 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.501 0.721 . . . . 10.9 112.551 -179.586 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.551 HD23 ' N ' ' B' ' 4' ' ' VAL . 1.8 tt -134.66 130.98 37.2 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.368 1.067 . . . . 6.51 109.815 177.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.551 ' N ' HD23 ' B' ' 3' ' ' LEU . 93.1 t -132.82 136.29 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.754 0.422 . . . . 7.02 111.767 167.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -133.38 120.23 20.69 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.573 1.171 . . . . 11.67 110.627 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -121.09 140.76 51.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.708 0.766 . . . . 12.94 112.581 169.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.238 0.484 0 CA-C-N 114.607 -1.178 . . . . 17.42 109.958 178.825 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . 001 ecloud nobuild full ' A' A ' 12' ' ' 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_