data_4gwv_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 4gwv _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 ' 6' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.454 0 CA-C-O 121.145 0.498 . . . . 58.270000000000003 111.462 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.6 mt -93.65 150.88 39.48 Favored Pre-proline 0 C--O 1.25 1.095 0 CA-C-N 115.5 -0.773 . . . . 45.289999999999999 112.509 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.6 163.11 13.66 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.067 1.178 . . . . 30.800000000000001 111.679 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -56.64 139.76 88.81 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 O-C-N 122.681 0.832 . . . . 26.399999999999999 112.485 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 -29.27 11.78 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 114.8 0.68 . . . . 26.510000000000002 114.8 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -82.34 142.38 32.08 Favored 'General case' 0 CA--C 1.487 -1.446 0 N-CA-C 112.94 0.718 . . . . 34.049999999999997 112.94 -174.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -137.06 148.48 46.8 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 120.64 -0.424 . . . . 51.770000000000003 111.008 163.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -73.83 131.42 41.5 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.104 -1.443 . . . . 39.57 107.104 177.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.88 172.96 9.96 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 117.951 -1.5 . . . . 44.240000000000002 109.67 176.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.5 ttp -129.5 128.11 42.19 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 118.458 -1.297 . . . . 42.119999999999997 111.924 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 t -61.67 122.33 15.05 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 113.516 0.932 . . . . 31.98 113.516 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -75.76 -12.41 60.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.15 -0.477 . . . . 75.379999999999995 111.111 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.4 p -107.43 -37.65 6.15 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.285 -0.566 . . . . 39.579999999999998 111.819 -174.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 p -103.35 -14.14 16.41 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.647 1.351 . . . . 36.549999999999997 114.647 178.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.9 -2.73 73.34 Favored Glycine 0 C--O 1.218 -0.876 0 C-N-CA 120.389 -0.91 . . . . 32.280000000000001 114.582 -176.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -80.27 155.75 27.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.74 0.781 . . . . 97.930000000000007 112.873 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -85.11 150.08 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.376 -0.829 . . . . 30.120000000000001 110.18 176.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -156.29 170.23 22.74 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 121.782 -0.574 . . . . 26.100000000000001 109.534 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -118.68 140.17 50.35 Favored 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 108.831 -0.803 . . . . 28.07 108.831 -176.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -127.01 134.74 50.28 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.21 -1.033 . . . . 26.079999999999998 108.21 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -103.88 112.96 26.16 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.465 -0.788 . . . . 33.350000000000001 110.915 179.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -63.72 -32.95 74.6 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 113.444 0.905 . . . . 50.609999999999999 113.444 179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.3 mt -69.63 -47.08 73.29 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 CA-C-N 118.086 0.403 . . . . 30.670000000000002 111.215 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.2 p -108.19 2.82 23.11 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 117.826 -1.549 . . . . 33.960000000000001 112.318 -172.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 52.84 18.11 0.99 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.963 1.468 . . . . 39.920000000000002 114.963 -170.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.65 151.65 36.1 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 106.704 -1.591 . . . . 33.329999999999998 106.704 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 p -140.74 151.74 44.72 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 107.937 -1.134 . . . . 31.27 107.937 173.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -157.73 160.72 38.19 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 118.364 0.529 . . . . 32.479999999999997 111.479 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -75.91 -31.93 59.39 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 113.541 0.941 . . . . 36.880000000000003 113.541 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -94.56 133.34 38.3 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.415 0.686 . . . . 79.670000000000002 110.185 -171.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -50.67 122.31 16.06 Favored Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 123.615 0.766 . . . . 64.109999999999999 110.989 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.38 143.41 63.59 Favored 'Trans proline' 0 CA--C 1.55 1.323 0 O-C-N 122.534 0.755 . . . . 55.619999999999997 113.674 -177.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 117.185 2.291 . . . . 69.099999999999994 117.185 -179.457 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.454 0 CA-C-O 121.145 0.498 . . . . 58.270000000000003 111.462 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.6 mt -93.65 150.88 39.48 Favored Pre-proline 0 C--O 1.25 1.095 0 CA-C-N 115.5 -0.773 . . . . 45.289999999999999 112.509 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.6 163.11 13.66 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.067 1.178 . . . . 30.800000000000001 111.679 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -56.64 139.76 88.81 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 O-C-N 122.681 0.832 . . . . 26.399999999999999 112.485 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 -29.27 11.78 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 114.8 0.68 . . . . 26.510000000000002 114.8 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' CD2' ' HG3' ' A' ' 37' ' ' PRO . 98.7 m95 -82.34 142.38 32.08 Favored 'General case' 0 CA--C 1.487 -1.446 0 N-CA-C 112.94 0.718 . . . . 34.049999999999997 112.94 -174.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . 0.528 ' HG2' ' NE2' ' A' ' 27' ' ' HIS . 2.7 pt-20 -137.06 148.48 46.8 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 120.64 -0.424 . . . . 51.770000000000003 111.008 163.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . 0.729 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 6.3 ttpt -73.83 131.42 41.5 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.104 -1.443 . . . . 39.57 107.104 177.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' HE ' ' HB3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -126.88 172.96 9.96 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 117.951 -1.5 . . . . 44.240000000000002 109.67 176.952 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.5 ttp -129.5 128.11 42.19 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 118.458 -1.297 . . . . 42.119999999999997 111.924 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 t -61.67 122.33 15.05 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 113.516 0.932 . . . . 31.98 113.516 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -75.76 -12.41 60.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.15 -0.477 . . . . 75.379999999999995 111.111 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.4 p -107.43 -37.65 6.15 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.285 -0.566 . . . . 39.579999999999998 111.819 -174.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 p -103.35 -14.14 16.41 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.647 1.351 . . . . 36.549999999999997 114.647 178.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.9 -2.73 73.34 Favored Glycine 0 C--O 1.218 -0.876 0 C-N-CA 120.389 -0.91 . . . . 32.280000000000001 114.582 -176.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -80.27 155.75 27.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.74 0.781 . . . . 97.930000000000007 112.873 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -85.11 150.08 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.376 -0.829 . . . . 30.120000000000001 110.18 176.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -156.29 170.23 22.74 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 121.782 -0.574 . . . . 26.100000000000001 109.534 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . 0.729 ' CE1' ' HG3' ' A' ' 13' ' ' LYS . 95.8 m-85 -118.68 140.17 50.35 Favored 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 108.831 -0.803 . . . . 28.07 108.831 -176.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -127.01 134.74 50.28 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.21 -1.033 . . . . 26.079999999999998 108.21 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -103.88 112.96 26.16 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.465 -0.788 . . . . 33.350000000000001 110.915 179.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HIS . . . . . 0.528 ' NE2' ' HG2' ' A' ' 12' ' ' GLU . 97.7 m-70 -63.72 -32.95 74.6 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 113.444 0.905 . . . . 50.609999999999999 113.444 179.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.3 mt -69.63 -47.08 73.29 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 CA-C-N 118.086 0.403 . . . . 30.670000000000002 111.215 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.2 p -108.19 2.82 23.11 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 117.826 -1.549 . . . . 33.960000000000001 112.318 -172.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 52.84 18.11 0.99 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.963 1.468 . . . . 39.920000000000002 114.963 -170.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.65 151.65 36.1 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 106.704 -1.591 . . . . 33.329999999999998 106.704 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 p -140.74 151.74 44.72 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 107.937 -1.134 . . . . 31.27 107.937 173.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -157.73 160.72 38.19 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 118.364 0.529 . . . . 32.479999999999997 111.479 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -75.91 -31.93 59.39 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 113.541 0.941 . . . . 36.880000000000003 113.541 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -94.56 133.34 38.3 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.415 0.686 . . . . 79.670000000000002 110.185 -171.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -50.67 122.31 16.06 Favored Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 123.615 0.766 . . . . 64.109999999999999 110.989 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HG3' ' CD2' ' A' ' 11' ' ' TRP . 35.4 Cg_endo -67.38 143.41 63.59 Favored 'Trans proline' 0 CA--C 1.55 1.323 0 O-C-N 122.534 0.755 . . . . 55.619999999999997 113.674 -177.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 117.185 2.291 . . . . 69.099999999999994 117.185 -179.457 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.454 0 CA-C-O 121.145 0.498 . . . . 58.270000000000003 111.462 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.6 mt -93.65 150.88 39.48 Favored Pre-proline 0 C--O 1.25 1.095 0 CA-C-N 115.5 -0.773 . . . . 45.289999999999999 112.509 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.6 163.11 13.66 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.067 1.178 . . . . 30.800000000000001 111.679 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -56.64 139.76 88.81 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 O-C-N 122.681 0.832 . . . . 26.399999999999999 112.485 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 -29.27 11.78 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 114.8 0.68 . . . . 26.510000000000002 114.8 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' CD2' ' HG3' ' A' ' 37' ' ' PRO . 98.7 m95 -82.34 142.38 32.08 Favored 'General case' 0 CA--C 1.487 -1.446 0 N-CA-C 112.94 0.718 . . . . 34.049999999999997 112.94 -174.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.528 ' HG2' ' NE2' ' A' ' 27' ' ' HIS . 2.7 pt-20 -137.06 148.48 46.8 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 120.64 -0.424 . . . . 51.770000000000003 111.008 163.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.729 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 6.3 ttpt -73.83 131.42 41.5 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.104 -1.443 . . . . 39.57 107.104 177.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' HE ' ' HB3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -126.88 172.96 9.96 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 117.951 -1.5 . . . . 44.240000000000002 109.67 176.952 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.5 ttp -129.5 128.11 42.19 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 118.458 -1.297 . . . . 42.119999999999997 111.924 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 t -61.67 122.33 15.05 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 113.516 0.932 . . . . 31.98 113.516 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -75.76 -12.41 60.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.15 -0.477 . . . . 75.379999999999995 111.111 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.4 p -107.43 -37.65 6.15 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.285 -0.566 . . . . 39.579999999999998 111.819 -174.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 p -103.35 -14.14 16.41 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.647 1.351 . . . . 36.549999999999997 114.647 178.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.9 -2.73 73.34 Favored Glycine 0 C--O 1.218 -0.876 0 C-N-CA 120.389 -0.91 . . . . 32.280000000000001 114.582 -176.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -80.27 155.75 27.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.74 0.781 . . . . 97.930000000000007 112.873 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -85.11 150.08 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.376 -0.829 . . . . 30.120000000000001 110.18 176.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -156.29 170.23 22.74 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 121.782 -0.574 . . . . 26.100000000000001 109.534 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.729 ' CE1' ' HG3' ' A' ' 13' ' ' LYS . 95.8 m-85 -118.68 140.17 50.35 Favored 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 108.831 -0.803 . . . . 28.07 108.831 -176.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -127.01 134.74 50.28 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.21 -1.033 . . . . 26.079999999999998 108.21 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -103.88 112.96 26.16 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.465 -0.788 . . . . 33.350000000000001 110.915 179.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.528 ' NE2' ' HG2' ' A' ' 12' ' ' GLU . 97.7 m-70 -63.72 -32.95 74.6 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 113.444 0.905 . . . . 50.609999999999999 113.444 179.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.3 mt -69.63 -47.08 73.29 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 CA-C-N 118.086 0.403 . . . . 30.670000000000002 111.215 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.2 p -108.19 2.82 23.11 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 117.826 -1.549 . . . . 33.960000000000001 112.318 -172.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 52.84 18.11 0.99 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.963 1.468 . . . . 39.920000000000002 114.963 -170.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.65 151.65 36.1 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 106.704 -1.591 . . . . 33.329999999999998 106.704 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 p -140.74 151.74 44.72 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 107.937 -1.134 . . . . 31.27 107.937 173.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -157.73 160.72 38.19 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 118.364 0.529 . . . . 32.479999999999997 111.479 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -75.91 -31.93 59.39 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 113.541 0.941 . . . . 36.880000000000003 113.541 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -94.56 133.34 38.3 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.415 0.686 . . . . 79.670000000000002 110.185 -171.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -50.67 122.31 16.06 Favored Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 123.615 0.766 . . . . 64.109999999999999 110.989 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HG3' ' CD2' ' A' ' 11' ' ' TRP . 35.4 Cg_endo -67.38 143.41 63.59 Favored 'Trans proline' 0 CA--C 1.55 1.323 0 O-C-N 122.534 0.755 . . . . 55.619999999999997 113.674 -177.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 117.185 2.291 . . . . 69.099999999999994 117.185 -179.457 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 stop_ save_