data_6olo_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 6olo _Structure_validation_residue.Date_analyzed 2020-03-20 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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 54.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -61.19 -40.68 94.82 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.463 -0.495 . . . . 62.11 111.45 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.9 mt -68.28 -41.81 84.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 120.916 -0.314 . . . . 60.47 110.602 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.25 75.18 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.4 -0.52 . . . . 53.21 111.351 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.37 84.85 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.056 -0.658 . . . . 44.47 111.028 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -65.17 -38.1 81.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.122 0.487 . . . . 49.33 110.393 176.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -66.84 -37.38 84.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.942 -0.474 . . . . 56.6 110.957 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.11 90.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 43.8 110.687 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.7 mt -65.95 -38.18 81.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 115.868 -0.606 . . . . 46.79 110.378 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.52 99.31 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.414 -0.514 . . . . 42.33 111.232 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.12 77.18 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.0 -0.68 . . . . 42.35 111.249 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.98 -42.6 82.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.505 -0.478 . . . . 42.28 110.663 179.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -55.11 -40.96 71.05 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.394 -0.522 . . . . 60.95 111.143 175.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -65.17 -41.17 94.91 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.344 -0.542 . . . . 66.33 111.332 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -68.95 -35.27 76.58 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.304 -0.559 . . . . 56.05 111.466 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.67 -43.49 98.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 120.573 -0.451 . . . . 41.15 110.594 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.63 96.44 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.548 -0.461 . . . . 39.65 111.358 178.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.53 80.01 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.072 -0.651 . . . . 44.9 111.388 179.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.95 -43.55 96.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 O-C-N 122.197 -0.314 . . . . 43.23 110.775 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -65.71 -36.79 84.62 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.277 -0.569 . . . . 54.72 111.61 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.04 -45.73 93.59 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.387 -0.525 . . . . 56.22 110.961 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.83 97.77 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.555 -0.458 . . . . 47.62 110.823 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.5 -35.47 73.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 CA-C-O 120.869 0.366 . . . . 48.54 110.525 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.34 93.6 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.25 -0.58 . . . . 52.84 111.275 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.06 98.3 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.237 -0.585 . . . . 55.91 111.08 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.7 mt -63.57 -36.76 77.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 120.883 -0.327 . . . . 59.83 110.791 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 0 O-C-N 121.54 -0.725 . . . . 63.58 111.829 -179.54 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 54.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -61.19 -40.68 94.82 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.463 -0.495 . . . . 62.11 111.45 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.9 mt -68.28 -41.81 84.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 120.916 -0.314 . . . . 60.47 110.602 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.25 75.18 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.4 -0.52 . . . . 53.21 111.351 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.37 84.85 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.056 -0.658 . . . . 44.47 111.028 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -65.17 -38.1 81.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.122 0.487 . . . . 49.33 110.393 176.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -66.84 -37.38 84.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.942 -0.474 . . . . 56.6 110.957 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.11 90.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 43.8 110.687 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.7 mt -65.95 -38.18 81.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 115.868 -0.606 . . . . 46.79 110.378 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.52 99.31 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.414 -0.514 . . . . 42.33 111.232 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.12 77.18 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.0 -0.68 . . . . 42.35 111.249 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.98 -42.6 82.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.505 -0.478 . . . . 42.28 110.663 179.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -55.11 -40.96 71.05 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.394 -0.522 . . . . 60.95 111.143 175.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -65.17 -41.17 94.91 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.344 -0.542 . . . . 66.33 111.332 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -68.95 -35.27 76.58 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.304 -0.559 . . . . 56.05 111.466 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 16' ' ' ILE . 6.3 mm -62.67 -43.49 98.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 120.573 -0.451 . . . . 41.15 110.594 177.814 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.63 96.44 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.548 -0.461 . . . . 39.65 111.358 178.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.53 80.01 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.072 -0.651 . . . . 44.9 111.388 179.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.95 -43.55 96.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 O-C-N 122.197 -0.314 . . . . 43.23 110.775 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -65.71 -36.79 84.62 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.277 -0.569 . . . . 54.72 111.61 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.04 -45.73 93.59 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.387 -0.525 . . . . 56.22 110.961 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.83 97.77 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.555 -0.458 . . . . 47.62 110.823 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.5 -35.47 73.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 CA-C-O 120.869 0.366 . . . . 48.54 110.525 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.34 93.6 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.25 -0.58 . . . . 52.84 111.275 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.06 98.3 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.237 -0.585 . . . . 55.91 111.08 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.7 mt -63.57 -36.76 77.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 120.883 -0.327 . . . . 59.83 110.791 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 0 O-C-N 121.54 -0.725 . . . . 63.58 111.829 -179.54 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 54.600000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -61.19 -40.68 94.82 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.463 -0.495 . . . . 62.109999999999999 111.45 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.9 mt -68.28 -41.81 84.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 120.916 -0.314 . . . . 60.469999999999999 110.602 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.25 75.18 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.4 -0.52 . . . . 53.210000000000001 111.351 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.37 84.85 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.056 -0.658 . . . . 44.469999999999999 111.028 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -65.17 -38.1 81.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.122 0.487 . . . . 49.329999999999998 110.393 176.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -66.84 -37.38 84.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.942 -0.474 . . . . 56.600000000000001 110.957 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.11 90.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 43.799999999999997 110.687 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.7 mt -65.95 -38.18 81.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 115.868 -0.606 . . . . 46.789999999999999 110.378 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.52 99.31 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.414 -0.514 . . . . 42.329999999999998 111.232 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.12 77.18 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.0 -0.68 . . . . 42.350000000000001 111.249 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.98 -42.6 82.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.505 -0.478 . . . . 42.280000000000001 110.663 179.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -55.11 -40.96 71.05 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.394 -0.522 . . . . 60.950000000000003 111.143 175.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -65.17 -41.17 94.91 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.344 -0.542 . . . . 66.329999999999998 111.332 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -68.95 -35.27 76.58 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.304 -0.559 . . . . 56.049999999999997 111.466 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 16' ' ' ILE . 6.3 mm -62.67 -43.49 98.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 120.573 -0.451 . . . . 41.149999999999999 110.594 177.814 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.63 96.44 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.548 -0.461 . . . . 39.649999999999999 111.358 178.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.53 80.01 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.072 -0.651 . . . . 44.899999999999999 111.388 179.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.95 -43.55 96.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 O-C-N 122.197 -0.314 . . . . 43.229999999999997 110.775 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -65.71 -36.79 84.62 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.277 -0.569 . . . . 54.719999999999999 111.61 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.04 -45.73 93.59 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.387 -0.525 . . . . 56.219999999999999 110.961 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.83 97.77 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.555 -0.458 . . . . 47.619999999999997 110.823 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.5 -35.47 73.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 CA-C-O 120.869 0.366 . . . . 48.539999999999999 110.525 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.34 93.6 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.25 -0.58 . . . . 52.840000000000003 111.275 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.06 98.3 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.237 -0.585 . . . . 55.909999999999997 111.08 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.7 mt -63.57 -36.76 77.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 120.883 -0.327 . . . . 59.829999999999998 110.791 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 0 O-C-N 121.54 -0.725 . . . . 63.579999999999998 111.829 -179.54 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 stop_ save_