data_6phj_residue ############################ # Computer software used # ############################ 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 6phj _Structure_validation_residue.Date_analyzed 2020-06-26 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 ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.461 0 N-CA-C 114.333 0.493 . . . . 64.59 114.333 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 m -64.56 -34.91 79.36 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.917 -0.313 . . . . 80.45 111.74 -175.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -102.82 10.34 38.47 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 113.405 0.891 . . . . 73.64 113.405 -173.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 p -75.5 -42.41 52.85 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 118.176 -1.41 . . . . 73.4 111.866 -167.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 p -62.26 -50.0 73.47 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.537 -0.465 . . . . 64.76 110.605 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -56.75 -38.14 72.03 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.039 0.447 . . . . 61.49 111.583 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -73.0 -41.78 63.93 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 120.589 -0.444 . . . . 59.88 110.715 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -38.37 71.63 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.857 -0.527 . . . . 59.4 111.529 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -64.71 -42.59 95.14 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.802 -0.759 . . . . 94.93 110.117 175.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -63.05 -43.29 99.04 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 119.534 -0.866 . . . . 63.73 111.355 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.45 -42.98 97.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.302 0.482 . . . . 55.16 112.302 175.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -50.48 -51.59 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.504 -0.316 . . . . 55.75 111.399 172.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -62.13 -36.69 82.55 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-N 116.539 -0.3 . . . . 60.16 111.402 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -67.78 -44.75 76.69 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 123.717 0.636 . . . . 95.03 111.238 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -67.55 -35.02 78.24 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.669 -0.812 . . . . 82.3 111.384 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.95 83.99 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.027 0.441 . . . . 50.63 111.146 172.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.39 -41.45 84.88 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 118.174 -1.41 . . . . 53.25 111.008 174.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.31 -41.8 97.6 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 119.273 -0.971 . . . . 50.82 110.678 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -61.18 -46.51 90.19 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.298 -0.561 . . . . 50.69 110.407 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . 0.575 HG12 ' HE2' ' A' ' 27' ' ' MET . 26.7 t -62.8 -42.21 95.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.216 0.532 . . . . 41.83 110.891 -175.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -64.96 -43.03 94.0 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.776 -0.769 . . . . 61.48 110.157 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 40.2 t90 -54.92 -45.37 74.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.858 0.361 . . . . 54.01 110.643 172.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.2 tp -67.43 -32.98 74.23 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 119.016 -1.074 . . . . 55.23 110.848 -174.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . 0.575 ' HE2' HG12 ' A' ' 23' ' ' VAL . 74.1 mtm -76.59 -23.78 53.48 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 121.609 -0.682 . . . . 57.07 112.364 -177.562 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 C--O 1.243 0.729 0 CA-C-N 119.002 0.819 . . . . 70.86 110.238 -174.772 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . 0.457 ' HA2' ' CG2' ' A' ' 7' ' ' THR . . . . . . . . 0 CA--C 1.521 0.461 0 N-CA-C 114.333 0.493 . . . . 64.59 114.333 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 m -64.56 -34.91 79.36 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.917 -0.313 . . . . 66.96 111.74 -175.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -102.82 10.34 38.47 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 113.405 0.891 . . . . 61.29 113.405 -173.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . 0.457 ' CG2' ' HA2' ' A' ' 4' ' ' GLY . 11.6 p -75.5 -42.41 52.85 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 118.176 -1.41 . . . . 61.09 111.866 -167.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 p -62.26 -50.0 73.47 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.537 -0.465 . . . . 54.66 110.605 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -56.75 -38.14 72.03 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.039 0.447 . . . . 58.57 111.583 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -73.0 -41.78 63.93 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 120.589 -0.444 . . . . 49.83 110.715 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -38.37 71.63 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.857 -0.527 . . . . 49.42 111.529 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -64.71 -42.59 95.14 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.802 -0.759 . . . . 79.04 110.117 175.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -63.05 -43.29 99.04 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 119.534 -0.866 . . . . 53.04 111.355 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.45 -42.98 97.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.302 0.482 . . . . 45.89 112.302 175.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -50.48 -51.59 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.504 -0.316 . . . . 52.31 111.399 172.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -62.13 -36.69 82.55 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-N 116.539 -0.3 . . . . 50.06 111.402 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -67.78 -44.75 76.69 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 123.717 0.636 . . . . 79.12 111.238 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -67.55 -35.02 78.24 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.669 -0.812 . . . . 68.51 111.384 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.95 83.99 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.027 0.441 . . . . 42.12 111.146 172.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.39 -41.45 84.88 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 118.174 -1.41 . . . . 46.44 111.008 174.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.31 -41.8 97.6 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 119.273 -0.971 . . . . 48.03 110.678 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -61.18 -46.51 90.19 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.298 -0.561 . . . . 42.16 110.407 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 27' ' ' MET . 26.7 t -62.8 -42.21 95.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.216 0.532 . . . . 38.41 110.891 -175.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -64.96 -43.03 94.0 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.776 -0.769 . . . . 52.68 110.157 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 40.2 t90 -54.92 -45.37 74.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.858 0.361 . . . . 45.41 110.643 172.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.2 tp -67.43 -32.98 74.23 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 119.016 -1.074 . . . . 47.78 110.848 -174.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 74.1 mtm -76.59 -23.78 53.48 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 121.609 -0.682 . . . . 50.75 112.364 -177.562 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 C--O 1.243 0.729 0 CA-C-N 119.002 0.819 . . . . 58.98 110.238 -174.772 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.457 ' HA2' ' CG2' ' A' ' 7' ' ' THR . . . . . . . . 0 CA--C 1.521 0.461 0 N-CA-C 114.333 0.493 . . . . 64.59 114.333 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 m -64.56 -34.91 79.36 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.917 -0.313 . . . . 66.96 111.74 -175.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -102.82 10.34 38.47 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 113.405 0.891 . . . . 61.29 113.405 -173.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . 0.457 ' CG2' ' HA2' ' A' ' 4' ' ' GLY . 11.6 p -75.5 -42.41 52.85 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 118.176 -1.41 . . . . 61.09 111.866 -167.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 p -62.26 -50.0 73.47 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.537 -0.465 . . . . 54.66 110.605 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -56.75 -38.14 72.03 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.039 0.447 . . . . 58.57 111.583 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -73.0 -41.78 63.93 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 120.589 -0.444 . . . . 49.83 110.715 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -38.37 71.63 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.857 -0.527 . . . . 49.42 111.529 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -64.71 -42.59 95.14 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.802 -0.759 . . . . 79.04 110.117 175.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -63.05 -43.29 99.04 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 119.534 -0.866 . . . . 53.04 111.355 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.45 -42.98 97.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.302 0.482 . . . . 45.89 112.302 175.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -50.48 -51.59 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.504 -0.316 . . . . 52.31 111.399 172.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -62.13 -36.69 82.55 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-N 116.539 -0.3 . . . . 50.06 111.402 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -67.78 -44.75 76.69 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 123.717 0.636 . . . . 79.12 111.238 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -67.55 -35.02 78.24 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.669 -0.812 . . . . 68.51 111.384 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.95 83.99 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.027 0.441 . . . . 42.12 111.146 172.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.39 -41.45 84.88 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 118.174 -1.41 . . . . 46.44 111.008 174.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.31 -41.8 97.6 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 119.273 -0.971 . . . . 48.03 110.678 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -61.18 -46.51 90.19 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.298 -0.561 . . . . 42.16 110.407 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 27' ' ' MET . 26.7 t -62.8 -42.21 95.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.216 0.532 . . . . 38.41 110.891 -175.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -64.96 -43.03 94.0 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.776 -0.769 . . . . 52.68 110.157 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 40.2 t90 -54.92 -45.37 74.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.858 0.361 . . . . 45.41 110.643 172.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.2 tp -67.43 -32.98 74.23 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 119.016 -1.074 . . . . 47.78 110.848 -174.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 74.1 mtm -76.59 -23.78 53.48 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 121.609 -0.682 . . . . 50.75 112.364 -177.562 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 C--O 1.243 0.729 0 CA-C-N 119.002 0.819 . . . . 58.98 110.238 -174.772 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_