data_2ldj_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 2ldj _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 ' 1' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.912 0.387 . . . . 5.1699999999999999 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.88 3.58 54.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.183 -0.462 . . . . 4.0099999999999998 110.563 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.78 -19.33 14.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.774 -0.648 . . . . 3.3300000000000001 111.417 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 51.1 mm -59.67 -53.14 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 2.3999999999999999 110.953 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -71.29 -2.76 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.112 0.482 . . . . 2.5800000000000001 110.433 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -100.25 -23.63 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.653 -0.703 . . . . 1.1899999999999999 110.234 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.3 mt -85.33 -27.7 25.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.968 -0.56 . . . . 2.1499999999999999 111.125 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -83.05 -12.11 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 3.0499999999999998 111.406 -179.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -94.64 -4.39 47.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.761 0.282 . . . . 3.3599999999999999 111.761 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DGN . . . . . . . . . . . . 2.417 . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.646 -0.252 . . . . 6.3200000000000003 111.592 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.27 -132.33 38.17 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.778 -0.725 . . . . 2.6000000000000001 112.747 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.596 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 83.5 Cg_endo -80.88 -15.57 10.56 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.359 2.04 . . . . 2.7999999999999998 112.049 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 m -62.6 -70.75 0.19 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 4.8499999999999996 110.787 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.6 p -106.56 31.56 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.081 -0.509 . . . . 2.9700000000000002 110.711 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -132.26 -102.54 0.86 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.705 -0.76 . . . . 2.77 112.63 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -153.53 156.23 32.17 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 110.716 -0.105 . . . . 4.0 110.716 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.86 136.16 59.13 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.019 1.812 . . . . 1.49 110.848 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 12' ' ' PRO . 58.9 Cg_exo -35.34 96.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.134 2.556 . . . . 3.0699999999999998 113.321 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.11 -161.44 0.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.437 2.092 . . . . 2.1499999999999999 111.587 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.316 -0.85 . . . . 3.9900000000000002 110.459 179.658 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.912 0.387 . . . . 4.68 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.88 3.58 54.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.183 -0.462 . . . . 3.63 110.563 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.78 -19.33 14.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.774 -0.648 . . . . 2.92 111.417 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 51.1 mm -59.67 -53.14 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 1.92 110.953 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' HA ' ' HG2' ' A' ' 8' ' ' LYS . 13.2 pt20 -71.29 -2.76 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.112 0.482 . . . . 2.21 110.433 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -100.25 -23.63 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.653 -0.703 . . . . 1.05 110.234 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.3 mt -85.33 -27.7 25.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.968 -0.56 . . . . 1.63 111.125 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -83.05 -12.11 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 2.58 111.406 -179.453 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -94.64 -4.39 47.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.761 0.282 . . . . 3.36 111.761 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DGN . . . . . . . . . . . . 2.417 . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.646 -0.252 . . . . 5.62 111.592 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.27 -132.33 38.17 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.778 -0.725 . . . . 2.0 112.747 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.63 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 83.5 Cg_endo -80.88 -15.57 10.56 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.359 2.04 . . . . 2.8 112.049 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 m -62.6 -70.75 0.19 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 4.69 110.787 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.6 p -106.56 31.56 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.081 -0.509 . . . . 2.68 110.711 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -132.26 -102.54 0.86 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.705 -0.76 . . . . 2.1 112.63 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -153.53 156.23 32.17 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 110.716 -0.105 . . . . 3.52 110.716 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.86 136.16 59.13 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.019 1.812 . . . . 1.23 110.848 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 12' ' ' PRO . 58.9 Cg_exo -35.34 96.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.134 2.556 . . . . 2.47 113.321 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.11 -161.44 0.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.437 2.092 . . . . 1.69 111.587 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.316 -0.85 . . . . 3.99 110.459 179.658 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.912 0.387 . . . . 4.68 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.88 3.58 54.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.183 -0.462 . . . . 3.63 110.563 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.78 -19.33 14.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.774 -0.648 . . . . 2.92 111.417 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 51.1 mm -59.67 -53.14 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 1.92 110.953 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' HA ' ' HG2' ' A' ' 8' ' ' LYS . 13.2 pt20 -71.29 -2.76 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.112 0.482 . . . . 2.21 110.433 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -100.25 -23.63 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.653 -0.703 . . . . 1.05 110.234 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.3 mt -85.33 -27.7 25.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.968 -0.56 . . . . 1.63 111.125 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -83.05 -12.11 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 2.58 111.406 -179.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -94.64 -4.39 47.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.761 0.282 . . . . 3.36 111.761 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DGN . . . . . . . . . . . . 2.417 . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.646 -0.252 . . . . 5.62 111.592 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.27 -132.33 38.17 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.778 -0.725 . . . . 2.0 112.747 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.63 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 83.5 Cg_endo -80.88 -15.57 10.56 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.359 2.04 . . . . 2.8 112.049 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 m -62.6 -70.75 0.19 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 4.69 110.787 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.6 p -106.56 31.56 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.081 -0.509 . . . . 2.68 110.711 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -132.26 -102.54 0.86 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.705 -0.76 . . . . 2.1 112.63 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -153.53 156.23 32.17 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 110.716 -0.105 . . . . 3.52 110.716 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.86 136.16 59.13 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.019 1.812 . . . . 1.23 110.848 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 12' ' ' PRO . 58.9 Cg_exo -35.34 96.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.134 2.556 . . . . 2.47 113.321 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.11 -161.44 0.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.437 2.092 . . . . 1.69 111.587 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.316 -0.85 . . . . 3.99 110.459 179.658 . . . . . . . . 0 0 . 1 stop_ save_