data_1dng_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 1dng _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 121.017 0.436 . . . . 6.15 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.451 ' CB ' ' HG2' ' A' ' 6' ' ' GLU . . . -131.72 87.31 45.95 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.481 -0.762 . . . . 3.01 110.172 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.449 ' HD2' ' CD1' ' A' ' 5' ' ' TYR . 52.5 Cg_endo -84.35 79.15 2.63 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.889 1.468 . . . . 3.13 111.39 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.55 21.11 3.17 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.65 -0.656 . . . . 2.05 111.394 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.449 ' CD1' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -107.54 -30.25 8.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.204 -0.935 . . . . 3.55 109.688 179.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.451 ' HG2' ' CB ' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -65.79 -32.4 73.91 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.515 -0.741 . . . . 3.13 110.118 179.291 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 14.6 pt-20 -70.14 -36.6 74.88 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.451 -0.78 . . . . 2.55 109.596 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -27.18 64.38 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.771 -0.58 . . . . 1.77 109.651 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.6 89.37 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.463 -0.773 . . . . 1.92 109.279 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.26 -36.3 69.01 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.685 -0.634 . . . . 2.7 109.591 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -70.14 -33.69 72.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.658 -0.651 . . . . 2.95 109.599 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.76 -49.04 72.34 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.779 -0.576 . . . . 2.8 109.932 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.62 -30.88 64.72 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.672 -0.643 . . . . 1.92 110.025 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.17 55.45 1.0 Allowed 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.507 0.67 . . . . 4.0 109.598 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.917 0 CA-C-O 117.953 -1.023 . . . . 2.68 110.471 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 121.017 0.436 . . . . 5.4400000000000004 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.919 ' HB1' ' HG2' ' A' ' 6' ' ' GLU . . . -131.72 87.31 45.95 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.481 -0.762 . . . . 2.5299999999999998 110.172 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 5' ' ' TYR . 52.5 Cg_endo -84.35 79.15 2.63 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.889 1.468 . . . . 2.52 111.39 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.55 21.11 3.17 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.65 -0.656 . . . . 1.52 111.394 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.463 ' CD1' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -107.54 -30.25 8.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.204 -0.935 . . . . 3.2999999999999998 109.688 179.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.919 ' HG2' ' HB1' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -65.79 -32.4 73.91 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.515 -0.741 . . . . 3.1299999999999999 110.118 179.291 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 14.6 pt-20 -70.14 -36.6 74.88 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.451 -0.78 . . . . 2.5499999999999998 109.596 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -27.18 64.38 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.771 -0.58 . . . . 1.24 109.651 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.6 89.37 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.463 -0.773 . . . . 1.4199999999999999 109.279 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.26 -36.3 69.01 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.685 -0.634 . . . . 2.7000000000000002 109.591 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -70.14 -33.69 72.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.658 -0.651 . . . . 2.9500000000000002 109.599 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 12' ' ' LEU . 17.8 mt -64.76 -49.04 72.34 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.779 -0.576 . . . . 2.2999999999999998 109.932 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.62 -30.88 64.72 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.672 -0.643 . . . . 1.3600000000000001 110.025 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.17 55.45 1.0 Allowed 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.507 0.67 . . . . 3.5800000000000001 109.598 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.917 0 CA-C-O 117.953 -1.023 . . . . 2.27 110.471 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 121.017 0.436 . . . . 5.4400000000000004 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.919 ' HB1' ' HG2' ' A' ' 6' ' ' GLU . . . -131.72 87.31 45.95 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.481 -0.762 . . . . 2.5299999999999998 110.172 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 5' ' ' TYR . 52.5 Cg_endo -84.35 79.15 2.63 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.889 1.468 . . . . 2.52 111.39 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.55 21.11 3.17 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.65 -0.656 . . . . 1.52 111.394 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.463 ' CD1' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -107.54 -30.25 8.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.204 -0.935 . . . . 3.2999999999999998 109.688 179.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.919 ' HG2' ' HB1' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -65.79 -32.4 73.91 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.515 -0.741 . . . . 3.1299999999999999 110.118 179.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 14.6 pt-20 -70.14 -36.6 74.88 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.451 -0.78 . . . . 2.5499999999999998 109.596 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -27.18 64.38 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.771 -0.58 . . . . 1.24 109.651 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.6 89.37 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.463 -0.773 . . . . 1.4199999999999999 109.279 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.26 -36.3 69.01 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.685 -0.634 . . . . 2.7000000000000002 109.591 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -70.14 -33.69 72.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.658 -0.651 . . . . 2.9500000000000002 109.599 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 12' ' ' LEU . 17.8 mt -64.76 -49.04 72.34 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.779 -0.576 . . . . 2.2999999999999998 109.932 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.62 -30.88 64.72 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.672 -0.643 . . . . 1.3600000000000001 110.025 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.17 55.45 1.0 Allowed 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.507 0.67 . . . . 3.5800000000000001 109.598 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.917 0 CA-C-O 117.953 -1.023 . . . . 2.27 110.471 -179.91 . . . . . . . . 1 1 . 1 stop_ save_