data_5mas_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 5mas _Structure_validation_residue.Date_analyzed 2017-03-07 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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 . . . . . . . . 6.4199999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.95 -71.24 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 106.142 -1.799 . . . . 6.2300000000000004 106.142 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 N-CA-C 109.168 -0.679 . . . . 5.2699999999999996 109.168 177.811 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.096 0 O-C-N 123.257 0.348 . . . . 6.0700000000000003 110.629 -178.858 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 122.158 0.98 . . . . 5.71 109.763 -173.379 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.88 -44.86 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-O 122.941 1.353 . . . . 5.9900000000000002 110.602 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.49 99.15 Favored Glycine 0 C--N 1.354 1.55 0 C-N-CA 119.779 -1.201 . . . . 4.8200000000000003 114.212 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.45 -37.93 68.41 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 121.2 -1.176 . . . . 6.9900000000000002 112.469 -177.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.955 0 C-N-CA 124.608 1.163 . . . . 5.2000000000000002 110.965 174.922 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.839 0 CA-C-N 115.12 -0.945 . . . . 4.1900000000000004 111.825 -158.033 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -83.61 -17.33 41.99 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 123.609 0.568 . . . . 4.7000000000000002 111.798 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.642 -1.171 . . . . 6.0 110.663 179.816 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 . . . . . . . . 4.4000000000000004 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.95 -71.24 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 106.142 -1.799 . . . . 4.1500000000000004 106.142 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 N-CA-C 109.168 -0.679 . . . . 3.5099999999999998 109.168 177.811 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.096 0 O-C-N 123.257 0.348 . . . . 4.0499999999999998 110.629 -178.858 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 122.158 0.98 . . . . 3.8100000000000001 109.763 -173.379 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.88 -44.86 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-O 122.941 1.353 . . . . 3.9900000000000002 110.602 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.49 99.15 Favored Glycine 0 C--N 1.354 1.55 0 C-N-CA 119.779 -1.201 . . . . 3.21 114.212 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.45 -37.93 68.41 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 121.2 -1.176 . . . . 4.6600000000000001 112.469 -177.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.955 0 C-N-CA 124.608 1.163 . . . . 3.46 110.965 174.922 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.839 0 CA-C-N 115.12 -0.945 . . . . 2.79 111.825 -158.033 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -83.61 -17.33 41.99 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 123.609 0.568 . . . . 3.8199999999999998 111.798 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.642 -1.171 . . . . 4.0 110.663 179.816 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 . . . . . . . . 4.4000000000000004 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.95 -71.24 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 106.142 -1.799 . . . . 4.1500000000000004 106.142 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 N-CA-C 109.168 -0.679 . . . . 3.5099999999999998 109.168 177.811 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.096 0 O-C-N 123.257 0.348 . . . . 4.0499999999999998 110.629 -178.858 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 122.158 0.98 . . . . 3.8100000000000001 109.763 -173.379 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.88 -44.86 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-O 122.941 1.353 . . . . 3.9900000000000002 110.602 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.49 99.15 Favored Glycine 0 C--N 1.354 1.55 0 C-N-CA 119.779 -1.201 . . . . 3.21 114.212 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.45 -37.93 68.41 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 121.2 -1.176 . . . . 4.6600000000000001 112.469 -177.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.955 0 C-N-CA 124.608 1.163 . . . . 3.46 110.965 174.922 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.839 0 CA-C-N 115.12 -0.945 . . . . 2.79 111.825 -158.033 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -83.61 -17.33 41.99 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 123.609 0.568 . . . . 3.8199999999999998 111.798 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.642 -1.171 . . . . 4.0 110.663 179.816 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_