data_1ho2_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 1ho2 _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' ' ' HIS . . . . . . . . . . . . . 32.0 m80 . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -67.57 0.28 3.25 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -156.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -50.04 -29.55 9.01 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.965 0.802 . . . . 0.0 110.791 165.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.26 1.01 87.52 Favored Glycine 0 C--N 1.34 0.76 0 C-N-CA 125.926 1.727 . . . . 0.0 112.855 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -118.35 -36.06 3.64 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 119.017 1.408 . . . . 0.0 110.109 164.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -47.4 -68.88 0.15 Allowed 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.197 1.799 . . . . 0.0 111.059 172.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt -68.29 -33.11 58.67 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.767 -167.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.0 -51.13 50.68 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.644 176.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.54 -46.02 93.77 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 120.077 1.308 . . . . 0.0 110.794 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -61.94 -48.97 78.02 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.098 0.959 . . . . 0.0 110.652 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.5 m -62.58 -49.52 74.91 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.992 0.917 . . . . 0.0 108.981 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.9 mt -58.35 -40.64 82.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.182 0.901 . . . . 0.0 112.938 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -72.08 -49.48 36.05 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 125.567 1.547 . . . . 0.0 108.578 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.45 56.91 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 123.896 0.748 . . . . 0.0 109.712 169.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.9 t -63.39 -21.45 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -174.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.9 mmt -103.74 -12.43 16.98 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.806 1.642 . . . . 0.0 111.939 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -109.62 -11.83 14.73 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.174 0.99 . . . . 0.0 111.13 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -98.7 0.25 44.21 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.034 1.334 . . . . 0.0 111.013 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.71 -51.47 69.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.233 2.213 . . . . 0.0 110.597 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 126.956 2.217 . . . . 0.0 107.871 -173.744 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.0 m80 . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -67.57 0.28 3.25 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -156.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -50.04 -29.55 9.01 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.965 0.802 . . . . 0.0 110.791 165.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.26 1.01 87.52 Favored Glycine 0 C--N 1.34 0.76 0 C-N-CA 125.926 1.727 . . . . 0.0 112.855 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -118.35 -36.06 3.64 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 119.017 1.408 . . . . 0.0 110.109 164.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -47.4 -68.88 0.15 Allowed 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.197 1.799 . . . . 0.0 111.059 172.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt -68.29 -33.11 58.67 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.767 -167.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.0 -51.13 50.68 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.644 176.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.54 -46.02 93.77 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 120.077 1.308 . . . . 0.0 110.794 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -61.94 -48.97 78.02 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.098 0.959 . . . . 0.0 110.652 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.5 m -62.58 -49.52 74.91 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.992 0.917 . . . . 0.0 108.981 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.9 mt -58.35 -40.64 82.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.182 0.901 . . . . 0.0 112.938 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -72.08 -49.48 36.05 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 125.567 1.547 . . . . 0.0 108.578 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.45 56.91 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 123.896 0.748 . . . . 0.0 109.712 169.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.9 t -63.39 -21.45 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -174.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.9 mmt -103.74 -12.43 16.98 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.806 1.642 . . . . 0.0 111.939 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -109.62 -11.83 14.73 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.174 0.99 . . . . 0.0 111.13 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -98.7 0.25 44.21 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.034 1.334 . . . . 0.0 111.013 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.71 -51.47 69.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.233 2.213 . . . . 0.0 110.597 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 126.956 2.217 . . . . 0.0 107.871 -173.744 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.0 m80 . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -67.57 0.28 3.25 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -156.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -50.04 -29.55 9.01 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.965 0.802 . . . . 0.0 110.791 165.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.26 1.01 87.52 Favored Glycine 0 C--N 1.34 0.76 0 C-N-CA 125.926 1.727 . . . . 0.0 112.855 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -118.35 -36.06 3.64 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 119.017 1.408 . . . . 0.0 110.109 164.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -47.4 -68.88 0.15 Allowed 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.197 1.799 . . . . 0.0 111.059 172.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt -68.29 -33.11 58.67 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.767 -167.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.0 -51.13 50.68 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.644 176.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.54 -46.02 93.77 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 120.077 1.308 . . . . 0.0 110.794 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -61.94 -48.97 78.02 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.098 0.959 . . . . 0.0 110.652 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.5 m -62.58 -49.52 74.91 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.992 0.917 . . . . 0.0 108.981 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.9 mt -58.35 -40.64 82.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.182 0.901 . . . . 0.0 112.938 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -72.08 -49.48 36.05 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 125.567 1.547 . . . . 0.0 108.578 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.45 56.91 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 123.896 0.748 . . . . 0.0 109.712 169.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.9 t -63.39 -21.45 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -174.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.9 mmt -103.74 -12.43 16.98 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.806 1.642 . . . . 0.0 111.939 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -109.62 -11.83 14.73 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.174 0.99 . . . . 0.0 111.13 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -98.7 0.25 44.21 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.034 1.334 . . . . 0.0 111.013 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.71 -51.47 69.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.233 2.213 . . . . 0.0 110.597 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 126.956 2.217 . . . . 0.0 107.871 -173.744 . . . . . . . . 0 0 . 1 stop_ save_