data_4w5l_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 4w5l _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 ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 111.888 -0.485 . . . . 11.07 111.888 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -167.12 -174.05 35.93 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 109.459 -1.456 . . . . 7.5300000000000002 109.459 179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -144.6 150.9 38.22 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.286 0.565 . . . . 7.9699999999999998 110.279 -172.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.2 tp -148.42 120.48 8.26 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.0 -1.111 . . . . 8.4399999999999995 108.0 176.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.7 mp -123.37 134.3 54.02 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.159 0.984 . . . . 13.31 109.172 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -133.7 140.43 11.79 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.412 -1.075 . . . . 8.3900000000000006 110.412 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--N 1.326 -0.429 0 N-CA-C 109.062 -0.718 . . . . 17.329999999999998 109.062 173.389 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 120.802 0.112 . . . . 12.58 113.287 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.23 -169.19 42.06 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.459 -1.056 . . . . 9.9000000000000004 110.459 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -149.88 155.76 40.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.524 0.678 . . . . 6.3899999999999997 109.96 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 22.0 tp -145.46 125.31 13.47 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.651 -1.611 . . . . 11.42 106.651 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.13 156.99 43.45 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 118.972 -1.091 . . . . 11.880000000000001 110.187 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 171.68 -172.39 44.59 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 118.997 -1.573 . . . . 5.1500000000000004 112.534 -175.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--O 1.239 0.5 0 CA-C-N 113.663 -1.269 . . . . 13.77 110.675 -176.411 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 111.888 -0.485 . . . . 11.07 111.888 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -167.12 -174.05 35.93 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 109.459 -1.456 . . . . 7.5300000000000002 109.459 179.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -144.6 150.9 38.22 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.286 0.565 . . . . 7.9699999999999998 110.279 -172.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.2 tp -148.42 120.48 8.26 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.0 -1.111 . . . . 8.4399999999999995 108.0 176.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.7 mp -123.37 134.3 54.02 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.159 0.984 . . . . 13.31 109.172 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -133.7 140.43 11.79 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.412 -1.075 . . . . 8.3900000000000006 110.412 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--N 1.326 -0.429 0 N-CA-C 109.062 -0.718 . . . . 17.329999999999998 109.062 173.389 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 120.802 0.112 . . . . 12.949999999999999 113.287 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.23 -169.19 42.06 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.459 -1.056 . . . . 9.9000000000000004 110.459 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -149.88 155.76 40.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.524 0.678 . . . . 6.3899999999999997 109.96 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 22.0 tp -145.46 125.31 13.47 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.651 -1.611 . . . . 11.42 106.651 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.13 156.99 43.45 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 118.972 -1.091 . . . . 11.880000000000001 110.187 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 171.68 -172.39 44.59 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 118.997 -1.573 . . . . 5.1500000000000004 112.534 -175.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--O 1.239 0.5 0 CA-C-N 113.663 -1.269 . . . . 13.77 110.675 -176.411 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 111.888 -0.485 . . . . 11.07 111.888 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -167.12 -174.05 35.93 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 109.459 -1.456 . . . . 7.5300000000000002 109.459 179.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -144.6 150.9 38.22 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.286 0.565 . . . . 7.9699999999999998 110.279 -172.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.2 tp -148.42 120.48 8.26 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.0 -1.111 . . . . 8.4399999999999995 108.0 176.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.7 mp -123.37 134.3 54.02 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.159 0.984 . . . . 13.31 109.172 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -133.7 140.43 11.79 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.412 -1.075 . . . . 8.3900000000000006 110.412 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--N 1.326 -0.429 0 N-CA-C 109.062 -0.718 . . . . 17.329999999999998 109.062 173.389 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 120.802 0.112 . . . . 12.949999999999999 113.287 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.23 -169.19 42.06 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.459 -1.056 . . . . 9.9000000000000004 110.459 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -149.88 155.76 40.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.524 0.678 . . . . 6.3899999999999997 109.96 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 22.0 tp -145.46 125.31 13.47 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.651 -1.611 . . . . 11.42 106.651 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.13 156.99 43.45 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 118.972 -1.091 . . . . 11.880000000000001 110.187 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 171.68 -172.39 44.59 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 118.997 -1.573 . . . . 5.1500000000000004 112.534 -175.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--O 1.239 0.5 0 CA-C-N 113.663 -1.269 . . . . 13.77 110.675 -176.411 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_