{"global_stoichiometry": "Homo 32-mer - A32 ", "ligstr": "ACE:A:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:A:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:B:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:B:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:C:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:C:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:D:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:D:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:E:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:E:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:F:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:F:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:G:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:G:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:H:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:H:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:I:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:I:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:J:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:J:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:K:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:K:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:L:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:L:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:M:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:M:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:N:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:N:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:O:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:O:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:P:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:P:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF", "uniprot_ac": "", "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3", "reference": "Nat Chem Biol. 2018 Sep;14(9):870-875.", "author": "Zhang, S.Q., Huang, H., Yang, J., Kratochvil, H.T., Lolicato, M., Liu, Y., Shu, X., Liu, L., DeGrado, W.F.", "type": "Fibril", "ligand_id": "ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2", "species": "synthetic construct", "method": "X-RAY DIFFRACTION", "keyword": "Cross-alpha Amyloid-like Structure alphaAmA", "gene_names": "", "chain_id": "A%%A%%B%%B%%C%%C%%D%%D%%E%%E%%F%%F%%G%%G%%H%%H%%I%%I%%J%%J%%K%%K%%L%%L%%M%%M%%N%%N%%O%%O%%P%%P", "ligand_mw": "44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02", "inchi_key": "IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF", "secondary_structure": "XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHTCCC&XSKLLELLRKLAEALHKAIELLEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC", "amyloid_non_amyloid": "Amyloid", "length": "27", "remarks": "Cross-alpha Amyloid-like Structure alphaAmA", "protein_name": "alphaAmA", "peptide_protein_sequence": "chain-ID A: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID B: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID C: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID D: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID E: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID F: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID G: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID H: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID I: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID J: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID K: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID L: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID M: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID N: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID O: XSKLLELLRKLAEALHKAIELLEKWGX; chain-ID P: XSKLLELLRKLAEALHKAIELLEKWGX", "ligand_name": "ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP", "ligand_smiles": "CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]", "pdb_id": "6O3N", "ec_number": "", "pdb_classification": "DE NOVO PROTEIN", "mutation_s_field": "No", "ligand_formula": "C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N", "r_value_free": "0.319", "alternative_name": "", "description": "They crystallographically characterize designed peptides that assemble into spiraling cross-Alpha amyloid-like structures, which resemble twisted Beta-amyloid fibrils. The peptides form helical dimers, stabilized by packing of small and apolar residues, and the dimers further assemble into cross-Alpha amyloid-like fibrils with superhelical pitches ranging from 170?A to 200?A. When a small residue that appeared critical for packing was converted to leucine, it resulted in structural rearrangement to a helical polymer. all of the AlphaAm peptides showed time-dependent increases in the fluorescence intensity of ThT, with no apparent lag time in the kinetic traces", "resolution": "3.7", "pmid": "30061717", "entry": "S-0565"}