data_3jqh_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 3jqh _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 ' 1' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo . . . . . 0 CA--C 1.534 0.521 0 CA-C-O 118.868 -0.555 . . . . 68.810000000000002 112.106 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.792 0.329 . . . . 68.25 111.2 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -105.71 158.66 16.56 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.517 1.302 . . . . 121.59999999999999 114.517 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 142' ' ' HOH . 25.8 mttt -51.11 -43.88 61.2 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.985 -1.007 . . . . 66.769999999999996 113.291 -179.097 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.1 p -60.98 -19.88 61.68 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.626 0.602 . . . . 72.209999999999994 112.626 -176.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -76.23 -48.72 19.28 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 120.307 -0.557 . . . . 89.209999999999994 109.994 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.49 -31.77 73.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.295 -0.411 . . . . 75.049999999999997 112.024 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.82 -44.28 93.71 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 122.217 1.008 . . . . 77.519999999999996 111.176 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -66.0 -37.5 86.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.289 -0.869 . . . . 112.66 109.187 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.72 -48.85 84.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 120.736 -0.386 . . . . 64.359999999999999 110.31 173.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -58.35 -40.47 82.29 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.259 0.466 . . . . 80.430000000000007 112.259 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -39.72 90.13 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.133 0.79 . . . . 99.859999999999999 113.133 -179.001 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -59.35 -46.63 88.1 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.588 0.588 . . . . 98.299999999999997 112.588 171.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 mt -55.73 -48.08 75.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.377 . . . . 79.579999999999998 111.171 177.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.5 m -49.52 -49.28 46.65 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.43 -0.805 . . . . 74.370000000000005 112.561 174.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 mtt85 . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 112.754 0.65 . . . . 76.310000000000002 112.754 -179.515 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.922 0.391 . . . . 68.959999999999994 111.057 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.313 -0.625 . . . . 69.349999999999994 109.313 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.21 -41.21 96.44 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.555 -0.748 . . . . 63.659999999999997 110.942 -174.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -58.5 -42.12 86.91 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.202 -0.453 . . . . 92.670000000000002 111.127 175.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.72 83.0 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.199 0.523 . . . . 66.430000000000007 112.353 -177.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.18 99.48 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.858 0.688 . . . . 63.990000000000002 112.858 176.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.01 -37.78 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 122.006 -0.434 . . . . 60.210000000000001 110.659 177.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.83 -11.48 54.38 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 114.261 0.464 . . . . 62.82 114.261 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -99.95 0.51 41.29 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.794 1.035 . . . . 95.510000000000005 113.794 174.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.886 0.375 . . . . 70.349999999999994 111.699 179.633 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . 0.409 ' O ' ' NZ ' ' A' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo . . . . . 0 CA--C 1.534 0.521 0 CA-C-O 118.868 -0.555 . . . . 68.810000000000002 112.106 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.792 0.329 . . . . 68.25 111.2 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -105.71 158.66 16.56 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.517 1.302 . . . . 121.59999999999999 114.517 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -51.11 -43.88 61.2 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.985 -1.007 . . . . 66.769999999999996 113.291 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.1 p -60.98 -19.88 61.68 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.626 0.602 . . . . 72.209999999999994 112.626 -176.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -76.23 -48.72 19.28 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 120.307 -0.557 . . . . 89.209999999999994 109.994 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.49 -31.77 73.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.295 -0.411 . . . . 75.049999999999997 112.024 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.82 -44.28 93.71 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 122.217 1.008 . . . . 77.519999999999996 111.176 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -66.0 -37.5 86.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.289 -0.869 . . . . 112.66 109.187 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.72 -48.85 84.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 120.736 -0.386 . . . . 64.359999999999999 110.31 173.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -58.35 -40.47 82.29 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.259 0.466 . . . . 80.430000000000007 112.259 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' HG2' ' NH2' ' A' ' 15' ' ' ARG . 6.5 tp60 -66.12 -39.72 90.13 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.133 0.79 . . . . 99.859999999999999 113.133 -179.001 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -59.35 -46.63 88.1 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.588 0.588 . . . . 98.299999999999997 112.588 171.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 mt -55.73 -48.08 75.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.377 . . . . 79.579999999999998 111.171 177.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.5 m -49.52 -49.28 46.65 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.43 -0.805 . . . . 74.370000000000005 112.561 174.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . 0.453 ' NH2' ' HG2' ' A' ' 11' ' ' GLN . 43.8 mtt85 . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 112.754 0.65 . . . . 76.310000000000002 112.754 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.922 0.391 . . . . 68.959999999999994 111.057 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.313 -0.625 . . . . 69.349999999999994 109.313 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.21 -41.21 96.44 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.555 -0.748 . . . . 63.659999999999997 110.942 -174.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.607 ' HD2' ' O ' ' A' ' 155' ' ' HOH . 16.2 tptp -58.5 -42.12 86.91 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.202 -0.453 . . . . 92.670000000000002 111.127 175.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.72 83.0 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.199 0.523 . . . . 66.430000000000007 112.353 -177.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.18 99.48 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.858 0.688 . . . . 63.990000000000002 112.858 176.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.01 -37.78 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 122.006 -0.434 . . . . 60.210000000000001 110.659 177.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.83 -11.48 54.38 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 114.261 0.464 . . . . 62.82 114.261 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -99.95 0.51 41.29 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.794 1.035 . . . . 95.510000000000005 113.794 174.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.886 0.375 . . . . 70.349999999999994 111.699 179.633 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . 0.607 ' O ' ' HD2' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo . . . . . 0 CA--C 1.534 0.521 0 CA-C-O 118.868 -0.555 . . . . 68.810000000000002 112.106 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.792 0.329 . . . . 68.25 111.2 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -105.71 158.66 16.56 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.517 1.302 . . . . 121.59999999999999 114.517 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -51.11 -43.88 61.2 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 114.985 -1.007 . . . . 66.769999999999996 113.291 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.1 p -60.98 -19.88 61.68 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.626 0.602 . . . . 72.209999999999994 112.626 -176.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -76.23 -48.72 19.28 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 120.307 -0.557 . . . . 89.209999999999994 109.994 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.49 -31.77 73.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.295 -0.411 . . . . 75.049999999999997 112.024 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.82 -44.28 93.71 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 122.217 1.008 . . . . 77.519999999999996 111.176 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -66.0 -37.5 86.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.289 -0.869 . . . . 112.66 109.187 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.72 -48.85 84.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 120.736 -0.386 . . . . 64.359999999999999 110.31 173.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -58.35 -40.47 82.29 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.259 0.466 . . . . 80.430000000000007 112.259 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' HG2' ' NH2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -66.12 -39.72 90.13 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.133 0.79 . . . . 99.859999999999999 113.133 -179.001 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -59.35 -46.63 88.1 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.588 0.588 . . . . 98.299999999999997 112.588 171.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 mt -55.73 -48.08 75.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.377 . . . . 79.579999999999998 111.171 177.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.5 m -49.52 -49.28 46.65 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.43 -0.805 . . . . 74.370000000000005 112.561 174.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.453 ' NH2' ' HG2' ' A' ' 11' ' ' GLN . 43.8 mtt85 . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 112.754 0.65 . . . . 76.310000000000002 112.754 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.922 0.391 . . . . 68.959999999999994 111.057 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.313 -0.625 . . . . 69.349999999999994 109.313 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.21 -41.21 96.44 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.555 -0.748 . . . . 63.659999999999997 110.942 -174.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.607 ' HD2' ' O ' ' A' ' 155' ' ' HOH . 16.2 tptp -58.5 -42.12 86.91 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.202 -0.453 . . . . 92.670000000000002 111.127 175.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.72 83.0 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.199 0.523 . . . . 66.430000000000007 112.353 -177.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.18 99.48 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.858 0.688 . . . . 63.990000000000002 112.858 176.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.01 -37.78 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 122.006 -0.434 . . . . 60.210000000000001 110.659 177.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.83 -11.48 54.38 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 114.261 0.464 . . . . 62.82 114.261 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -99.95 0.51 41.29 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.794 1.035 . . . . 95.510000000000005 113.794 174.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.886 0.375 . . . . 70.349999999999994 111.699 179.633 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . 0.607 ' O ' ' HD2' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_