data_3cmh_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 3cmh _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -168.14 -75.54 0.02 OUTLIER 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.565 0.62 . . . . 0.0 110.218 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -72.02 -41.96 66.93 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -50.54 -41.31 53.73 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.897 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.751 0 O-C-N 123.569 0.543 . . . . 0.0 110.231 -179.349 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.2 t -49.53 -48.25 20.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.82 -61.7 2.22 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.522 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.63 -45.03 31.69 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.178 -165.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.3 t -56.3 -43.19 78.68 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.744 -0.783 . . . . 0.0 109.839 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -72.94 -62.0 1.61 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 119.512 -0.875 . . . . 0.0 110.276 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.46 -40.5 96.84 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.557 1.071 . . . . 0.0 109.662 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.0 t70 58.34 66.39 1.1 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.105 0.866 . . . . 0.0 112.64 172.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 mt -151.16 138.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 176.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.95 -60.05 2.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-N 121.371 1.896 . . . . 0.0 106.04 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 . . . . . 0 C--N 1.353 0.753 0 CA-C-O 121.173 0.511 . . . . 0.0 112.087 173.658 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -168.14 -75.54 0.02 OUTLIER 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.565 0.62 . . . . 0.0 110.218 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -72.02 -41.96 66.93 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -50.54 -41.31 53.73 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.897 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.751 0 O-C-N 123.569 0.543 . . . . 0.0 110.231 -179.349 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.2 t -49.53 -48.25 20.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.82 -61.7 2.22 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.522 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.63 -45.03 31.69 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.178 -165.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.3 t -56.3 -43.19 78.68 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.744 -0.783 . . . . 0.0 109.839 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -72.94 -62.0 1.61 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 119.512 -0.875 . . . . 0.0 110.276 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.46 -40.5 96.84 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.557 1.071 . . . . 0.0 109.662 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.0 t70 58.34 66.39 1.1 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.105 0.866 . . . . 0.0 112.64 172.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 mt -151.16 138.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 176.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.95 -60.05 2.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-N 121.371 1.896 . . . . 0.0 106.04 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 . . . . . 0 C--N 1.353 0.753 0 CA-C-O 121.173 0.511 . . . . 0.0 112.087 173.658 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -168.14 -75.54 0.02 OUTLIER 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.565 0.62 . . . . 0.0 110.218 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -72.02 -41.96 66.93 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -50.54 -41.31 53.73 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.897 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.751 0 O-C-N 123.569 0.543 . . . . 0.0 110.231 -179.349 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.2 t -49.53 -48.25 20.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.82 -61.7 2.22 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.522 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.63 -45.03 31.69 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.178 -165.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.3 t -56.3 -43.19 78.68 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.744 -0.783 . . . . 0.0 109.839 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -72.94 -62.0 1.61 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 119.512 -0.875 . . . . 0.0 110.276 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.46 -40.5 96.84 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.557 1.071 . . . . 0.0 109.662 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.0 t70 58.34 66.39 1.1 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.105 0.866 . . . . 0.0 112.64 172.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 mt -151.16 138.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 176.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.95 -60.05 2.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-N 121.371 1.896 . . . . 0.0 106.04 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 . . . . . 0 C--N 1.353 0.753 0 CA-C-O 121.173 0.511 . . . . 0.0 112.087 173.658 . . . . . . . . 0 0 . 1 stop_ save_