data_3md5_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 3md5 _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.094 0 CA-C-O 121.983 0.768 . . . . 9.8399999999999999 112.209 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -157.18 155.64 31.27 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 119.531 -0.868 . . . . 19.93 110.536 -173.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -136.16 129.71 47.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-N 114.179 -1.373 . . . . 8.5600000000000005 107.727 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.72 139.01 54.25 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 108.544 -0.909 . . . . 6.46 108.544 169.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -145.64 144.59 13.17 Favored Glycine 0 CA--C 1.495 -1.178 0 C-N-CA 119.287 -1.435 . . . . 7.7199999999999998 112.046 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 CA--C 1.514 -0.42 0 C-N-CA 120.723 -0.391 . . . . 20.57 110.614 177.28 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.17 -0.772 . . . . 12.460000000000001 111.17 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -141.28 150.21 42.28 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.818 -0.808 . . . . 16.18 108.818 -172.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 88.3 t -135.6 129.37 48.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 106.722 -1.584 . . . . 5.9000000000000004 106.722 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mp -127.94 135.37 49.86 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 106.633 -1.617 . . . . 10.56 106.633 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -146.83 131.62 4.06 Favored Glycine 0 CA--C 1.481 -2.068 0 C-N-CA 119.053 -1.546 . . . . 15.369999999999999 110.873 176.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' SER . . . . . 0.547 ' C ' ' O ' ' B' ' 4' ' ' HOH . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.94 0.876 . . . . 25.280000000000001 111.11 -171.167 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' HOH . . . . . 0.547 ' O ' ' C ' ' B' ' 132' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.094 0 CA-C-O 121.983 0.768 . . . . 9.8399999999999999 112.209 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -157.18 155.64 31.27 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 119.531 -0.868 . . . . 19.93 110.536 -173.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -136.16 129.71 47.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-N 114.179 -1.373 . . . . 8.5600000000000005 107.727 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.72 139.01 54.25 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 108.544 -0.909 . . . . 8.4600000000000009 108.544 169.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -145.64 144.59 13.17 Favored Glycine 0 CA--C 1.495 -1.178 0 C-N-CA 119.287 -1.435 . . . . 7.7199999999999998 112.046 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 CA--C 1.514 -0.42 0 C-N-CA 120.723 -0.391 . . . . 20.57 110.614 177.28 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.17 -0.772 . . . . 12.460000000000001 111.17 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -141.28 150.21 42.28 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.818 -0.808 . . . . 16.18 108.818 -172.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 88.3 t -135.6 129.37 48.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 106.722 -1.584 . . . . 5.9000000000000004 106.722 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mp -127.94 135.37 49.86 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 106.633 -1.617 . . . . 10.56 106.633 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -146.83 131.62 4.06 Favored Glycine 0 CA--C 1.481 -2.068 0 C-N-CA 119.053 -1.546 . . . . 15.369999999999999 110.873 176.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' SER . . . . . 0.547 ' C ' ' O ' ' B' ' 4' ' ' HOH . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.94 0.876 . . . . 25.280000000000001 111.11 -171.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' HOH . . . . . 0.547 ' O ' ' C ' ' B' ' 132' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.094 0 CA-C-O 121.983 0.768 . . . . 9.8399999999999999 112.209 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -157.18 155.64 31.27 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 119.531 -0.868 . . . . 19.93 110.536 -173.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -136.16 129.71 47.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-N 114.179 -1.373 . . . . 8.5600000000000005 107.727 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.72 139.01 54.25 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 108.544 -0.909 . . . . 8.4600000000000009 108.544 169.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -145.64 144.59 13.17 Favored Glycine 0 CA--C 1.495 -1.178 0 C-N-CA 119.287 -1.435 . . . . 7.7199999999999998 112.046 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 CA--C 1.514 -0.42 0 C-N-CA 120.723 -0.391 . . . . 20.57 110.614 177.28 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.17 -0.772 . . . . 12.460000000000001 111.17 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -141.28 150.21 42.28 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.818 -0.808 . . . . 16.18 108.818 -172.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 88.3 t -135.6 129.37 48.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 106.722 -1.584 . . . . 5.9000000000000004 106.722 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mp -127.94 135.37 49.86 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 106.633 -1.617 . . . . 10.56 106.633 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -146.83 131.62 4.06 Favored Glycine 0 CA--C 1.481 -2.068 0 C-N-CA 119.053 -1.546 . . . . 15.369999999999999 110.873 176.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' SER . . . . . 0.547 ' C ' ' O ' ' B' ' 4' ' ' HOH . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.94 0.876 . . . . 25.280000000000001 111.11 -171.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' HOH . . . . . 0.547 ' O ' ' C ' ' B' ' 132' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_