data_2bta_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 2bta _Structure_validation_residue.Date_analyzed 2016-10-07 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' ' ' MET . . . . . . . . . . . . . 13.5 ptt? . . . . . 0 N--CA 1.498 1.957 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.3 pm0 -65.06 167.03 8.49 Favored 'General case' 0 N--CA 1.433 -1.303 0 C-N-CA 126.192 1.797 . . . . 0.0 111.94 155.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -48.19 7.81 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.982 2.113 . . . . 0.0 109.583 172.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 8' ' ' TYR 0.271 0.0 OUTLIER -69.86 96.39 1.0 Allowed 'General case' 0 N--CA 1.428 -1.549 0 CA-C-O 125.415 2.531 . . . . 0.0 113.097 -178.386 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -97.13 -143.6 0.29 Allowed 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 119.151 -2.218 . . . . 0.0 111.357 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.93 -21.25 7.82 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 119.416 -2.052 . . . . 0.0 112.889 -146.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -104.69 53.4 0.73 Allowed 'General case' 0 C--N 1.347 0.498 0 O-C-N 119.917 -1.739 . . . . 0.0 108.598 155.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' A' ' 4' ' ' LEU . 1.2 t80 -143.26 125.55 15.57 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 123.185 1.469 . . . . 0.0 108.846 -171.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.22 163.41 33.02 Favored 'General case' 0 N--CA 1.434 -1.263 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 142.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 48.19 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 129.85 3.26 . . . . 0.0 116.121 -168.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 43.9 ttp -142.69 34.22 1.42 Allowed 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 127.843 2.457 . . . . 0.0 108.673 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.6 ptt? -108.48 -15.1 14.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 123.204 1.478 . . . . 0.0 110.138 163.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -40.09 -39.67 0.93 Allowed 'General case' 0 N--CA 1.431 -1.394 1 C-N-CA 134.8 5.24 . . . . 0.0 118.319 -176.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pm0 -91.9 -36.33 13.53 Favored 'General case' 0 N--CA 1.428 -1.571 0 O-C-N 119.727 -1.858 . . . . 0.0 115.409 -155.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -88.56 59.69 5.26 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 123.064 1.412 . . . . 0.0 112.812 -166.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.765 0 O-C-N 120.441 -1.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptt? . . . . . 0 N--CA 1.498 1.957 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.3 pm0 -65.06 167.03 8.49 Favored 'General case' 0 N--CA 1.433 -1.303 0 C-N-CA 126.192 1.797 . . . . 0.0 111.94 155.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -48.19 7.81 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.982 2.113 . . . . 0.0 109.583 172.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD22 ' CE2' ' A' ' 8' ' ' TYR 0.271 0.0 OUTLIER -69.86 96.39 1.0 Allowed 'General case' 0 N--CA 1.428 -1.549 0 CA-C-O 125.415 2.531 . . . . 0.0 113.097 -178.386 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -97.13 -143.6 0.29 Allowed 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 119.151 -2.218 . . . . 0.0 111.357 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.93 -21.25 7.82 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 119.416 -2.052 . . . . 0.0 112.889 -146.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -104.69 53.4 0.73 Allowed 'General case' 0 C--N 1.347 0.498 0 O-C-N 119.917 -1.739 . . . . 0.0 108.598 155.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.598 ' CE2' HD22 ' A' ' 4' ' ' LEU . 1.2 t80 -143.26 125.55 15.57 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 123.185 1.469 . . . . 0.0 108.846 -171.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.22 163.41 33.02 Favored 'General case' 0 N--CA 1.434 -1.263 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 142.143 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 48.19 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 129.85 3.26 . . . . 0.0 116.121 -168.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 43.9 ttp -142.69 34.22 1.42 Allowed 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 127.843 2.457 . . . . 0.0 108.673 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.6 ptt? -108.48 -15.1 14.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 123.204 1.478 . . . . 0.0 110.138 163.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -40.09 -39.67 0.93 Allowed 'General case' 0 N--CA 1.431 -1.394 1 C-N-CA 134.8 5.24 . . . . 0.0 118.319 -176.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pm0 -91.9 -36.33 13.53 Favored 'General case' 0 N--CA 1.428 -1.571 0 O-C-N 119.727 -1.858 . . . . 0.0 115.409 -155.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -88.56 59.69 5.26 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 123.064 1.412 . . . . 0.0 112.812 -166.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.765 0 O-C-N 120.441 -1.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptt? . . . . . 0 N--CA 1.498 1.957 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.3 pm0 -65.06 167.03 8.49 Favored 'General case' 0 N--CA 1.433 -1.303 0 C-N-CA 126.192 1.797 . . . . 0.0 111.94 155.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -48.19 7.81 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.982 2.113 . . . . 0.0 109.583 172.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD22 ' CE2' ' A' ' 8' ' ' TYR 0.271 0.0 OUTLIER -69.86 96.39 1.0 Allowed 'General case' 0 N--CA 1.428 -1.549 0 CA-C-O 125.415 2.531 . . . . 0.0 113.097 -178.386 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -97.13 -143.6 0.29 Allowed 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 119.151 -2.218 . . . . 0.0 111.357 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.93 -21.25 7.82 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 119.416 -2.052 . . . . 0.0 112.889 -146.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -104.69 53.4 0.73 Allowed 'General case' 0 C--N 1.347 0.498 0 O-C-N 119.917 -1.739 . . . . 0.0 108.598 155.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.598 ' CE2' HD22 ' A' ' 4' ' ' LEU . 1.2 t80 -143.26 125.55 15.57 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 123.185 1.469 . . . . 0.0 108.846 -171.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.22 163.41 33.02 Favored 'General case' 0 N--CA 1.434 -1.263 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 142.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 48.19 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 129.85 3.26 . . . . 0.0 116.121 -168.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 43.9 ttp -142.69 34.22 1.42 Allowed 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 127.843 2.457 . . . . 0.0 108.673 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.6 ptt? -108.48 -15.1 14.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 123.204 1.478 . . . . 0.0 110.138 163.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -40.09 -39.67 0.93 Allowed 'General case' 0 N--CA 1.431 -1.394 1 C-N-CA 134.8 5.24 . . . . 0.0 118.319 -176.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pm0 -91.9 -36.33 13.53 Favored 'General case' 0 N--CA 1.428 -1.571 0 O-C-N 119.727 -1.858 . . . . 0.0 115.409 -155.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -88.56 59.69 5.26 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 123.064 1.412 . . . . 0.0 112.812 -166.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.765 0 O-C-N 120.441 -1.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_