data_3i1g_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 3i1g _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 ' 2' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.943 0.401 . . . . 57.26 111.524 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.98 142.5 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.941 -0.572 . . . . 47.15 111.263 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.64 -13.66 34.32 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.46 -0.571 . . . . 52.72 109.46 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.4 tp -67.92 -37.79 82.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.16 -1.052 . . . . 33.3 108.16 179.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.89 -37.75 88.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.41 . . . . 41.22 110.376 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.55 83.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 27.21 110.693 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' NZ ' ' OE1' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -70.88 -36.33 72.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.368 -0.378 . . . . 44.43 110.421 179.753 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.96 -36.28 73.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 108.498 -0.927 . . . . 20.54 108.498 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -65.32 -40.12 93.32 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.083 -0.508 . . . . 26.04 110.346 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' OE1' ' NZ ' ' A' ' 8' ' ' LYS . 31.8 tt0 -63.24 -40.74 98.28 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.345 0.593 . . . . 32.47 109.545 179.119 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 tp -65.22 -44.23 88.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.616 -0.72 . . . . 18.57 110.533 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.42 -44.95 96.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 21.44 110.024 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -63.08 -41.27 99.38 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.282 0.364 . . . . 29.64 111.543 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -65.22 -36.98 85.84 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.81 -0.811 . . . . 36.51 108.81 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.81 -42.4 90.72 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.691 -0.855 . . . . 20.98 108.691 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -64.17 -42.72 96.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.455 -0.339 . . . . 23.7 111.879 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.25 -39.46 94.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.586 -0.446 . . . . 33.32 111.537 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.9 mt -66.51 -45.27 80.12 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.114 -0.328 . . . . 28.04 110.114 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -62.55 -38.8 91.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.501 -0.318 . . . . 38.14 111.414 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -68.34 -37.13 80.22 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.303 -0.559 . . . . 23.1 110.875 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -65.78 -48.25 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.757 -1.201 . . . . 35.13 107.757 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.79 -39.0 80.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.804 -0.634 . . . . 24.02 110.437 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.78 95.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.4 . . . . 24.34 109.996 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -68.13 -32.74 73.24 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.586 -0.446 . . . . 38.37 111.078 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.34 -36.49 74.26 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.013 -0.675 . . . . 22.81 109.655 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.44 -39.27 94.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.883 -0.414 . . . . 36.72 109.883 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -67.67 -39.1 84.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 45.0 110.381 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.07 -44.43 94.75 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.855 0.317 . . . . 29.66 111.855 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 m -87.22 0.29 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.789 1.033 . . . . 35.95 113.789 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.44 5.22 75.8 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 118.03 1.972 . . . . 48.6 118.03 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.271 -0.871 . . . . 56.08 110.731 -179.825 . . . . . . . . 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 orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.943 0.401 . . . . 57.259999999999998 111.524 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.98 142.5 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.941 -0.572 . . . . 47.149999999999999 111.263 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.64 -13.66 34.32 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.46 -0.571 . . . . 52.719999999999999 109.46 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.4 tp -67.92 -37.79 82.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.16 -1.052 . . . . 33.299999999999997 108.16 179.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.89 -37.75 88.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.41 . . . . 41.219999999999999 110.376 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.55 83.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 27.210000000000001 110.693 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.688 ' O ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -70.88 -36.33 72.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.368 -0.378 . . . . 44.43 110.421 179.753 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.96 -36.28 73.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 108.498 -0.927 . . . . 20.539999999999999 108.498 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -65.32 -40.12 93.32 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.083 -0.508 . . . . 26.039999999999999 110.346 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.24 -40.74 98.28 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.345 0.593 . . . . 32.469999999999999 109.545 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' HG ' ' HE2' ' A' ' 8' ' ' LYS . 29.8 tp -65.22 -44.23 88.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.616 -0.72 . . . . 19.18 110.533 179.619 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.42 -44.95 96.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 21.440000000000001 110.024 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -63.08 -41.27 99.38 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.282 0.364 . . . . 29.640000000000001 111.543 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -65.22 -36.98 85.84 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.81 -0.811 . . . . 36.509999999999998 108.81 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.81 -42.4 90.72 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.691 -0.855 . . . . 22.809999999999999 108.691 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -64.17 -42.72 96.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.455 -0.339 . . . . 23.699999999999999 111.879 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.25 -39.46 94.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.586 -0.446 . . . . 33.32 111.537 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.9 mt -66.51 -45.27 80.12 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.114 -0.328 . . . . 28.039999999999999 110.114 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -62.55 -38.8 91.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.501 -0.318 . . . . 38.140000000000001 111.414 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -68.34 -37.13 80.22 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.303 -0.559 . . . . 32.229999999999997 110.875 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -65.78 -48.25 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.757 -1.201 . . . . 35.130000000000003 107.757 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.79 -39.0 80.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.804 -0.634 . . . . 24.02 110.437 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.78 95.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.4 . . . . 24.34 109.996 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -68.13 -32.74 73.24 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.586 -0.446 . . . . 38.369999999999997 111.078 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.34 -36.49 74.26 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.013 -0.675 . . . . 22.809999999999999 109.655 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.44 -39.27 94.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.883 -0.414 . . . . 36.719999999999999 109.883 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -67.67 -39.1 84.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 45.0 110.381 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.07 -44.43 94.75 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.855 0.317 . . . . 29.66 111.855 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 m -87.22 0.29 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.789 1.033 . . . . 35.950000000000003 113.789 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.44 5.22 75.8 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 118.03 1.972 . . . . 48.600000000000001 118.03 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.271 -0.871 . . . . 56.079999999999998 110.731 -179.825 . . . . . . . . 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 build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.943 0.401 . . . . 57.259999999999998 111.524 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.98 142.5 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.941 -0.572 . . . . 47.149999999999999 111.263 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.64 -13.66 34.32 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.46 -0.571 . . . . 52.719999999999999 109.46 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.4 tp -67.92 -37.79 82.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.16 -1.052 . . . . 33.299999999999997 108.16 179.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.89 -37.75 88.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.41 . . . . 41.219999999999999 110.376 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.55 83.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 27.210000000000001 110.693 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.688 ' O ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -70.88 -36.33 72.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.368 -0.378 . . . . 44.43 110.421 179.753 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.96 -36.28 73.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 108.498 -0.927 . . . . 20.539999999999999 108.498 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -65.32 -40.12 93.32 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.083 -0.508 . . . . 26.039999999999999 110.346 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.24 -40.74 98.28 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.345 0.593 . . . . 32.469999999999999 109.545 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' HG ' ' HE2' ' A' ' 8' ' ' LYS . 29.8 tp -65.22 -44.23 88.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.616 -0.72 . . . . 19.18 110.533 179.619 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.42 -44.95 96.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 21.440000000000001 110.024 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -63.08 -41.27 99.38 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.282 0.364 . . . . 29.640000000000001 111.543 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -65.22 -36.98 85.84 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.81 -0.811 . . . . 36.509999999999998 108.81 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.81 -42.4 90.72 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.691 -0.855 . . . . 22.809999999999999 108.691 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -64.17 -42.72 96.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.455 -0.339 . . . . 23.699999999999999 111.879 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.25 -39.46 94.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.586 -0.446 . . . . 33.32 111.537 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.9 mt -66.51 -45.27 80.12 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.114 -0.328 . . . . 28.039999999999999 110.114 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -62.55 -38.8 91.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.501 -0.318 . . . . 38.140000000000001 111.414 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -68.34 -37.13 80.22 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.303 -0.559 . . . . 32.229999999999997 110.875 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -65.78 -48.25 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.757 -1.201 . . . . 35.130000000000003 107.757 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.79 -39.0 80.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.804 -0.634 . . . . 24.02 110.437 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.78 95.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.4 . . . . 24.34 109.996 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -68.13 -32.74 73.24 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.586 -0.446 . . . . 38.369999999999997 111.078 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.34 -36.49 74.26 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.013 -0.675 . . . . 22.809999999999999 109.655 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.44 -39.27 94.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.883 -0.414 . . . . 36.719999999999999 109.883 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -67.67 -39.1 84.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 45.0 110.381 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.07 -44.43 94.75 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.855 0.317 . . . . 29.66 111.855 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 m -87.22 0.29 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.789 1.033 . . . . 35.950000000000003 113.789 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.44 5.22 75.8 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 118.03 1.972 . . . . 48.600000000000001 118.03 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.271 -0.871 . . . . 56.079999999999998 110.731 -179.825 . . . . . . . . 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 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_