data_1pje_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 1pje _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 ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -104.61 -35.75 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -64.1 -48.4 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.47 -57.0 14.64 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.557 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.701 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -58.05 -56.98 14.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -51.34 -50.92 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.475 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.03 -56.94 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.493 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.05 -54.36 22.36 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.701 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -53.41 -42.26 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -67.03 -56.99 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -49.04 -42.04 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.497 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 22' ' ' TRP . . . -66.98 -54.97 16.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.454 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -55.49 -49.62 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.475 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -64.11 -48.4 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -66.95 -57.02 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.537 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.537 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . -58.64 -36.98 74.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.569 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -67.07 -46.79 73.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.465 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.24 -41.19 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 115.648 -0.706 . . . . 0.0 . 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -104.61 -35.75 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -64.1 -48.4 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.47 -57.0 14.64 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.557 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.701 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -58.05 -56.98 14.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -51.34 -50.92 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.475 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.03 -56.94 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.493 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.05 -54.36 22.36 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.701 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -53.41 -42.26 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -67.03 -56.99 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -49.04 -42.04 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.497 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 22' ' ' TRP . . . -66.98 -54.97 16.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.454 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -55.49 -49.62 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.475 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -64.11 -48.4 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -66.95 -57.02 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.537 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.537 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . -58.64 -36.98 74.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.569 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -67.07 -46.79 73.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.465 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.24 -41.19 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 115.648 -0.706 . . . . 0.0 . 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -104.61 -35.75 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -64.1 -48.4 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.47 -57.0 14.64 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.557 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.701 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -58.05 -56.98 14.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -51.34 -50.92 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.475 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.03 -56.94 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.493 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.05 -54.36 22.36 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.701 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -53.41 -42.26 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -67.03 -56.99 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -49.04 -42.04 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.497 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 22' ' ' TRP . . . -66.98 -54.97 16.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.454 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -55.49 -49.62 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.475 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -64.11 -48.4 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -66.95 -57.02 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.537 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.537 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . -58.64 -36.98 74.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.569 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -67.07 -46.79 73.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.465 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.24 -41.19 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 115.648 -0.706 . . . . 0.0 . 179.997 . . . . . . . . 0 0 . 1 stop_ save_