登録構造単位 | A: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL B: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL C: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL D: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL ヘテロ分子
| 分子量 (理論値) | 分子数 |
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合計 (水以外) | 7,199 | 6 |
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ポリマ- | 7,141 | 4 |
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非ポリマー | 58 | 2 |
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水 | 486 | 27 |
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1 | A: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL B: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL ヘテロ分子 A: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL B: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL ヘテロ分子
C: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL ヘテロ分子 C: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL ヘテロ分子
| 分子量 (理論値) | 分子数 |
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合計 (水以外) | 10,828 | 10 |
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ポリマ- | 10,711 | 6 |
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非ポリマー | 117 | 4 |
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水 | 108 | 6 |
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タイプ | 名称 | 対称操作 | 数 |
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identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 7_556 | y,x,-z+1 | 1 | crystal symmetry operation | 3_565 | -x+y,-x+1,z | 1 | crystal symmetry operation | 9_656 | -x+1,-x+y,-z+1 | 1 |
Buried area | 4230 Å2 |
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ΔGint | -66 kcal/mol |
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Surface area | 6240 Å2 |
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手法 | PISA |
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2 | D: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL
x 6
| 分子量 (理論値) | 分子数 |
---|
合計 (水以外) | 10,711 | 6 |
---|
ポリマ- | 10,711 | 6 |
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非ポリマー | 0 | 0 |
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水 | 108 | 6 |
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タイプ | 名称 | 対称操作 | 数 |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_665 | -y+1,x-y+1,z | 1 | crystal symmetry operation | 3_565 | -x+y,-x+1,z | 1 | crystal symmetry operation | 10_665 | -y+1,-x+1,-z+1/2 | 1 | crystal symmetry operation | 11_555 | -x+y,y,-z+1/2 | 1 | crystal symmetry operation | 12_565 | x,x-y+1,-z+1/2 | 1 |
Buried area | 4550 Å2 |
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ΔGint | -41 kcal/mol |
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Surface area | 5520 Å2 |
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手法 | PISA |
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3 | B: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL C: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL D: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL ヘテロ分子
x 6
A: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL
x 6
| 分子量 (理論値) | 分子数 |
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合計 (水以外) | 43,195 | 36 |
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ポリマ- | 42,844 | 24 |
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非ポリマー | 351 | 12 |
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水 | 432 | 24 |
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タイプ | 名称 | 対称操作 | 数 |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_665 | -y+1,x-y+1,z | 1 | crystal symmetry operation | 3_565 | -x+y,-x+1,z | 1 | crystal symmetry operation | 10_665 | -y+1,-x+1,-z+1/2 | 1 | crystal symmetry operation | 11_555 | -x+y,y,-z+1/2 | 1 | crystal symmetry operation | 12_565 | x,x-y+1,-z+1/2 | 1 | crystal symmetry operation | 4_664 | -x+1,-y+1,z-1/2 | 1 | crystal symmetry operation | 5_564 | y,-x+y+1,z-1/2 | 1 | crystal symmetry operation | 6_554 | x-y,x,z-1/2 | 1 | crystal symmetry operation | 7_556 | y,x,-z+1 | 1 | crystal symmetry operation | 8_566 | x-y,-y+1,-z+1 | 1 | crystal symmetry operation | 9_666 | -x+1,-x+y+1,-z+1 | 1 |
Buried area | 23600 Å2 |
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ΔGint | -269 kcal/mol |
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Surface area | 17890 Å2 |
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手法 | PISA |
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単位格子 | Length a, b, c (Å) | 57.085, 57.085, 93.682 |
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Angle α, β, γ (deg.) | 90.00, 90.00, 120.00 |
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Int Tables number | 182 |
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Space group name H-M | P6322 |
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Components on special symmetry positions | ID | モデル | 要素 |
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1 | 1 | A-108-HOH |
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