data_3md4_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 3md4 _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 1.47 0.926 0 N-CA-C 109.312 -1.515 . . . . 5.96 109.312 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -154.64 149.86 27.05 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.124 -0.63 . . . . 8.8900000000000006 110.437 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 34.1 mtt -141.65 136.57 31.07 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 106.764 -1.569 . . . . 9.8200000000000003 106.764 175.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -158.0 162.12 38.15 Favored 'General case' 0 C--O 1.257 1.495 0 C-N-CA 118.935 -1.106 . . . . 5.3200000000000003 110.208 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -168.37 161.7 35.45 Favored Glycine 0 CA--C 1.5 -0.875 0 C-N-CA 119.895 -1.145 . . . . 3.7200000000000002 111.373 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 CA--C 1.495 -1.14 0 N-CA-C 108.661 -0.866 . . . . 10.41 108.661 -175.76 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 CA-C-O 121.645 0.58 . . . . 10.18 113.976 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -147.04 153.14 39.66 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.081 -1.081 . . . . 10.33 108.081 -171.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.9 mtp -147.55 141.22 25.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.84 0.456 . . . . 10.289999999999999 109.847 179.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 8.6 tt -135.57 129.98 33.8 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 106.173 -1.788 . . . . 9.9800000000000004 106.173 174.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -125.02 140.67 12.52 Favored Glycine 0 N--CA 1.438 -1.185 0 N-CA-C 108.786 -1.726 . . . . 3.4700000000000002 108.786 174.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 CA--C 1.499 -1.003 0 CA-C-N 115.085 -0.558 . . . . 12.800000000000001 110.657 -177.516 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.926 0 N-CA-C 109.312 -1.515 . . . . 5.96 109.312 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -154.64 149.86 27.05 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.124 -0.63 . . . . 8.8900000000000006 110.437 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 34.1 mtt -141.65 136.57 31.07 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 106.764 -1.569 . . . . 9.8200000000000003 106.764 175.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -158.0 162.12 38.15 Favored 'General case' 0 C--O 1.257 1.495 0 C-N-CA 118.935 -1.106 . . . . 5.3200000000000003 110.208 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -168.37 161.7 35.45 Favored Glycine 0 CA--C 1.5 -0.875 0 C-N-CA 119.895 -1.145 . . . . 3.7200000000000002 111.373 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 CA--C 1.495 -1.14 0 N-CA-C 108.661 -0.866 . . . . 10.41 108.661 -175.76 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 CA-C-O 121.645 0.58 . . . . 10.18 113.976 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -147.04 153.14 39.66 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.081 -1.081 . . . . 10.33 108.081 -171.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.9 mtp -147.55 141.22 25.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.84 0.456 . . . . 10.289999999999999 109.847 179.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 8.6 tt -135.57 129.98 33.8 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 106.173 -1.788 . . . . 9.9800000000000004 106.173 174.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -125.02 140.67 12.52 Favored Glycine 0 N--CA 1.438 -1.185 0 N-CA-C 108.786 -1.726 . . . . 3.4700000000000002 108.786 174.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 CA--C 1.499 -1.003 0 CA-C-N 115.085 -0.558 . . . . 12.800000000000001 110.657 -177.516 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.926 0 N-CA-C 109.312 -1.515 . . . . 5.96 109.312 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -154.64 149.86 27.05 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.124 -0.63 . . . . 8.8900000000000006 110.437 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 34.1 mtt -141.65 136.57 31.07 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 106.764 -1.569 . . . . 9.8200000000000003 106.764 175.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -158.0 162.12 38.15 Favored 'General case' 0 C--O 1.257 1.495 0 C-N-CA 118.935 -1.106 . . . . 5.3200000000000003 110.208 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -168.37 161.7 35.45 Favored Glycine 0 CA--C 1.5 -0.875 0 C-N-CA 119.895 -1.145 . . . . 3.7200000000000002 111.373 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 CA--C 1.495 -1.14 0 N-CA-C 108.661 -0.866 . . . . 10.41 108.661 -175.76 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 CA-C-O 121.645 0.58 . . . . 10.18 113.976 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -147.04 153.14 39.66 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.081 -1.081 . . . . 10.33 108.081 -171.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.9 mtp -147.55 141.22 25.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.84 0.456 . . . . 10.289999999999999 109.847 179.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 8.6 tt -135.57 129.98 33.8 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 106.173 -1.788 . . . . 9.9800000000000004 106.173 174.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -125.02 140.67 12.52 Favored Glycine 0 N--CA 1.438 -1.185 0 N-CA-C 108.786 -1.726 . . . . 3.4700000000000002 108.786 174.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 CA--C 1.499 -1.003 0 CA-C-N 115.085 -0.558 . . . . 12.800000000000001 110.657 -177.516 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_