data_1u6u_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 1u6u _Structure_validation_residue.Date_analyzed 2016-10-07 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 nuclear orig full ' A' A ' 312' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.826 0.346 . . . . 2.72 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 29.0 m -150.08 101.99 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.93 110.853 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' ILE . . . . . . . . . . . . . 1.3 mm -97.45 160.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 1.18 111.154 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.05 79.76 1.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 3.8 110.438 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' ILE . . . . . . . . . . . . . 1.7 pt -116.01 129.15 72.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.008 -0.542 . . . . 1.35 111.3 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.65 153.72 51.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 1.73 110.908 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -114.82 138.75 50.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 4.26 110.937 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' GLY . . . . . . . . . . . . . . . 156.67 159.14 9.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 1.3 112.504 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.03 94.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.54 2.16 . . . . 2.2 112.367 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' GLY . . . . . . . . . . . . . . . 96.55 38.39 4.48 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.713 -0.756 . . . . 1.44 112.566 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.51 137.8 43.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 4.63 110.922 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' ALA . . . . . . . . . . . . . . . -109.07 154.86 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 1.29 111.054 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -104.46 118.07 35.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 2.42 110.898 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' VAL . . . . . . . . . . . . . 18.7 t -120.78 159.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 2.01 111.024 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 14.6 p -144.77 133.9 22.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 1.76 110.954 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.83 141.08 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 2.11 111.113 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 1.22 112.508 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 312' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.826 0.346 . . . . 2.25 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 29.0 m -150.08 101.99 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.45 110.853 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' ILE . . . . . 0.615 ' CG2' HG22 ' A' ' 326' ' ' THR . 1.3 mm -97.45 160.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.5 111.154 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.05 79.76 1.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 3.1800000000000002 110.438 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 316' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 324' ' ' PHE . 1.7 pt -116.01 129.15 72.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.008 -0.542 . . . . 0.75 111.3 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 317' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.65 153.72 51.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 1.5 110.908 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 318' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -114.82 138.75 50.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 3.7200000000000002 110.937 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' GLY . . . . . . . . . . . . . . . 156.67 159.14 9.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 1.22 112.504 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.03 94.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.54 2.16 . . . . 2.2000000000000002 112.367 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 321' ' ' GLY . . . . . . . . . . . . . . . 96.55 38.39 4.48 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.713 -0.756 . . . . 1.27 112.566 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.51 137.8 43.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 4.0700000000000003 110.922 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 323' ' ' ALA . . . . . . . . . . . . . . . -109.07 154.86 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.59999999999999998 111.054 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' PHE . . . . . 0.575 ' CD1' HG22 ' A' ' 316' ' ' ILE . 23.4 m-85 -104.46 118.07 35.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 1.5600000000000001 110.898 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 325' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 326' ' ' THR . 18.7 t -120.78 159.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 1.3600000000000001 111.024 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 326' ' ' THR . . . . . 0.615 HG22 ' CG2' ' A' ' 314' ' ' ILE . 14.6 p -144.77 133.9 22.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 1.26 110.954 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.83 141.08 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 1.5600000000000001 111.113 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 1.0 112.508 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.826 0.346 . . . . 2.25 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 29.0 m -150.08 101.99 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.45 110.853 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' ILE . . . . . 0.615 ' CG2' HG22 ' A' ' 326' ' ' THR . 1.3 mm -97.45 160.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.5 111.154 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.05 79.76 1.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 3.18 110.438 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 324' ' ' PHE . 1.7 pt -116.01 129.15 72.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.008 -0.542 . . . . 0.75 111.3 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.65 153.72 51.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 1.5 110.908 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -114.82 138.75 50.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 3.72 110.937 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' GLY . . . . . . . . . . . . . . . 156.67 159.14 9.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 1.22 112.504 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.03 94.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.54 2.16 . . . . 2.2 112.367 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' GLY . . . . . . . . . . . . . . . 96.55 38.39 4.48 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.713 -0.756 . . . . 1.27 112.566 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.51 137.8 43.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 4.07 110.922 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' ALA . . . . . . . . . . . . . . . -109.07 154.86 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.6 111.054 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' PHE . . . . . 0.575 ' CD1' HG22 ' A' ' 316' ' ' ILE . 23.4 m-85 -104.46 118.07 35.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 1.56 110.898 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 326' ' ' THR . 18.7 t -120.78 159.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 1.36 111.024 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . 0.615 HG22 ' CG2' ' A' ' 314' ' ' ILE . 14.6 p -144.77 133.9 22.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 1.26 110.954 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.83 141.08 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 1.56 111.113 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 1.0 112.508 -179.973 . . . . . . . . 0 0 . 1 stop_ save_