data_4uby_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 4uby _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 1.452 -0.296 0 N-CA-C 110.301 -1.119 . . . . 5.0899999999999999 110.301 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.57 -157.72 28.16 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 119.015 -1.564 . . . . 5.4900000000000002 112.044 172.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -159.39 144.58 15.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.24 -1.022 . . . . 5.1399999999999997 108.24 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.23 136.33 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.625 0.578 . . . . 2.6200000000000001 110.156 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.9 tp -115.67 121.94 44.04 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.598 -1.26 . . . . 3.79 107.598 164.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.502 0 CA-C-O 118.072 -1.404 . . . . 4.75 113.742 174.971 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.201 0 N-CA-C 110.761 -0.936 . . . . 6.3300000000000001 110.761 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.61 46.12 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 110.471 -1.051 . . . . 4.3600000000000003 110.471 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -152.44 157.35 41.06 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.568 0.699 . . . . 6.6600000000000001 111.026 177.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 15.4 m -124.13 150.52 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 114.652 -1.158 . . . . 3.4300000000000002 109.054 166.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 79.3 mt -131.23 137.42 48.9 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 107.637 -1.245 . . . . 5.2199999999999998 107.637 172.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 122.646 1.136 . . . . 7.8200000000000003 113.343 175.604 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.625 0 N-CA-C 109.292 -1.523 . . . . 7.79 109.292 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.76 -177.49 43.8 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 119.8 -1.191 . . . . 5.6399999999999997 111.684 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -159.53 145.99 16.39 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.578 -0.897 . . . . 7.4800000000000004 108.578 -179.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 129' ' ' VAL . . . . . . . . . . . . . 62.3 t -131.54 139.18 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.49 0.494 . . . . 3.1600000000000001 110.103 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 130' ' ' LEU . . . . . . . . . . . . . 37.3 tp -120.66 127.56 52.17 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 107.908 -1.145 . . . . 3.5899999999999999 107.908 167.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.82 0 CA-C-O 121.692 0.606 . . . . 8.0 114.26 176.824 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 110.366 -1.094 . . . . 8.6199999999999992 110.366 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.59 175.18 42.79 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.824 -0.91 . . . . 5.2999999999999998 110.824 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 128' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -150.51 158.91 44.69 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.459 0.647 . . . . 9.1500000000000004 110.2 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 129' ' ' VAL . . . . . . . . . . . . . 13.6 m -126.38 152.03 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.914 -1.039 . . . . 3.21 109.455 165.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 130' ' ' LEU . . . . . . . . . . . . . 83.4 mt -129.8 141.92 50.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.286 -0.87 . . . . 3.9500000000000002 108.658 168.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.345 0 CA-C-O 118.961 -0.911 . . . . 7.0 113.508 177.962 . . . . . . . . 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 ' 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 orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 110.301 -1.119 . . . . 5.6399999999999997 110.301 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.57 -157.72 28.16 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 119.015 -1.564 . . . . 5.4900000000000002 112.044 172.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -159.39 144.58 15.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.24 -1.022 . . . . 5.1399999999999997 108.24 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.23 136.33 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.625 0.578 . . . . 2.6200000000000001 110.156 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.9 tp -115.67 121.94 44.04 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.598 -1.26 . . . . 3.79 107.598 164.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.502 0 CA-C-O 118.072 -1.404 . . . . 4.75 113.742 174.971 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.201 0 N-CA-C 110.761 -0.936 . . . . 6.3300000000000001 110.761 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.61 46.12 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 110.471 -1.051 . . . . 4.3600000000000003 110.471 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -152.44 157.35 41.06 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.568 0.699 . . . . 6.6600000000000001 111.026 177.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 15.4 m -124.13 150.52 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 114.652 -1.158 . . . . 3.4300000000000002 109.054 166.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 79.3 mt -131.23 137.42 48.9 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 107.637 -1.245 . . . . 5.2199999999999998 107.637 172.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 122.646 1.136 . . . . 7.8200000000000003 113.343 175.604 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.625 0 N-CA-C 109.292 -1.523 . . . . 7.79 109.292 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.76 -177.49 43.8 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 119.8 -1.191 . . . . 5.6399999999999997 111.684 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -159.53 145.99 16.39 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.578 -0.897 . . . . 7.4800000000000004 108.578 -179.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 129' ' ' VAL . . . . . . . . . . . . . 62.3 t -131.54 139.18 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.49 0.494 . . . . 3.1600000000000001 110.103 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 130' ' ' LEU . . . . . . . . . . . . . 37.3 tp -120.66 127.56 52.17 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 107.908 -1.145 . . . . 3.5899999999999999 107.908 167.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.82 0 CA-C-O 121.692 0.606 . . . . 8.0 114.26 176.824 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 110.366 -1.094 . . . . 8.6199999999999992 110.366 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.59 175.18 42.79 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.824 -0.91 . . . . 5.2999999999999998 110.824 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 128' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -150.51 158.91 44.69 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.459 0.647 . . . . 9.1500000000000004 110.2 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 129' ' ' VAL . . . . . . . . . . . . . 13.6 m -126.38 152.03 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.914 -1.039 . . . . 3.21 109.455 165.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 130' ' ' LEU . . . . . . . . . . . . . 83.4 mt -129.8 141.92 50.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.286 -0.87 . . . . 3.9500000000000002 108.658 168.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.345 0 CA-C-O 118.961 -0.911 . . . . 7.0 113.508 177.962 . . . . . . . . 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 ' 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 build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 110.301 -1.119 . . . . 5.6399999999999997 110.301 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.57 -157.72 28.16 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 119.015 -1.564 . . . . 5.4900000000000002 112.044 172.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -159.39 144.58 15.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.24 -1.022 . . . . 5.1399999999999997 108.24 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.23 136.33 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.625 0.578 . . . . 2.6200000000000001 110.156 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.9 tp -115.67 121.94 44.04 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.598 -1.26 . . . . 3.79 107.598 164.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.502 0 CA-C-O 118.072 -1.404 . . . . 4.75 113.742 174.971 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.201 0 N-CA-C 110.761 -0.936 . . . . 6.3300000000000001 110.761 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.61 46.12 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 110.471 -1.051 . . . . 4.3600000000000003 110.471 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -152.44 157.35 41.06 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.568 0.699 . . . . 6.6600000000000001 111.026 177.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 15.4 m -124.13 150.52 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 114.652 -1.158 . . . . 3.4300000000000002 109.054 166.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 79.3 mt -131.23 137.42 48.9 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 107.637 -1.245 . . . . 5.2199999999999998 107.637 172.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 122.646 1.136 . . . . 7.8200000000000003 113.343 175.604 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.625 0 N-CA-C 109.292 -1.523 . . . . 7.79 109.292 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.76 -177.49 43.8 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 119.8 -1.191 . . . . 5.6399999999999997 111.684 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -159.53 145.99 16.39 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.578 -0.897 . . . . 7.4800000000000004 108.578 -179.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 129' ' ' VAL . . . . . . . . . . . . . 62.3 t -131.54 139.18 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.49 0.494 . . . . 3.1600000000000001 110.103 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 130' ' ' LEU . . . . . . . . . . . . . 37.3 tp -120.66 127.56 52.17 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 107.908 -1.145 . . . . 3.5899999999999999 107.908 167.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.82 0 CA-C-O 121.692 0.606 . . . . 8.0 114.26 176.824 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 110.366 -1.094 . . . . 8.6199999999999992 110.366 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.59 175.18 42.79 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.824 -0.91 . . . . 5.2999999999999998 110.824 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 128' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -150.51 158.91 44.69 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.459 0.647 . . . . 9.1500000000000004 110.2 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 129' ' ' VAL . . . . . . . . . . . . . 13.6 m -126.38 152.03 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.914 -1.039 . . . . 3.21 109.455 165.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 130' ' ' LEU . . . . . . . . . . . . . 83.4 mt -129.8 141.92 50.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.286 -0.87 . . . . 3.9500000000000002 108.658 168.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.345 0 CA-C-O 118.961 -0.911 . . . . 7.0 113.508 177.962 . . . . . . . . 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 ' 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 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_