Deposited unit | A: Beta-hairpin peptide derived from Abeta 17-36 B: Beta-hairpin peptide derived from Abeta 17-36 C: Beta-hairpin peptide derived from Abeta 17-36 D: Beta-hairpin peptide derived from Abeta 17-36 E: Beta-hairpin peptide derived from Abeta 17-36 F: Beta-hairpin peptide derived from Abeta 17-36 G: Beta-hairpin peptide derived from Abeta 17-36 H: Beta-hairpin peptide derived from Abeta 17-36 I: Beta-hairpin peptide derived from Abeta 17-36 J: Beta-hairpin peptide derived from Abeta 17-36 K: Beta-hairpin peptide derived from Abeta 17-36 L: Beta-hairpin peptide derived from Abeta 17-36 M: Beta-hairpin peptide derived from Abeta 17-36 N: Beta-hairpin peptide derived from Abeta 17-36 O: Beta-hairpin peptide derived from Abeta 17-36 P: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 30,894 | 35 |
---|
Polymers | 28,483 | 16 |
---|
Non-polymers | 2,411 | 19 |
---|
Water | 3,189 | 177 |
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|
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1 | A: Beta-hairpin peptide derived from Abeta 17-36 B: Beta-hairpin peptide derived from Abeta 17-36 C: Beta-hairpin peptide derived from Abeta 17-36 M: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules A: Beta-hairpin peptide derived from Abeta 17-36 B: Beta-hairpin peptide derived from Abeta 17-36 C: Beta-hairpin peptide derived from Abeta 17-36 M: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules A: Beta-hairpin peptide derived from Abeta 17-36 B: Beta-hairpin peptide derived from Abeta 17-36 C: Beta-hairpin peptide derived from Abeta 17-36 M: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules
- defined by author&software
- 22.9 kDa, 12 polymers
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 22,885 | 24 |
---|
Polymers | 21,362 | 12 |
---|
Non-polymers | 1,523 | 12 |
---|
Water | 216 | 12 |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_865 | -y+3,x-y+1,z | 1 | crystal symmetry operation | 3_785 | -x+y+2,-x+3,z | 1 |
Buried area | 9020 Å2 |
---|
ΔGint | -76 kcal/mol |
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Surface area | 11060 Å2 |
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Method | PISA |
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|
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2 | D: Beta-hairpin peptide derived from Abeta 17-36 E: Beta-hairpin peptide derived from Abeta 17-36 F: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules D: Beta-hairpin peptide derived from Abeta 17-36 E: Beta-hairpin peptide derived from Abeta 17-36 F: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules D: Beta-hairpin peptide derived from Abeta 17-36 E: Beta-hairpin peptide derived from Abeta 17-36 F: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules
N: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules N: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules N: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules
- defined by author&software
- 23.3 kDa, 12 polymers
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 23,266 | 27 |
---|
Polymers | 21,362 | 12 |
---|
Non-polymers | 1,904 | 15 |
---|
Water | 216 | 12 |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_765 | -y+2,x-y+1,z | 1 | crystal symmetry operation | 3_675 | -x+y+1,-x+2,z | 1 | crystal symmetry operation | 7_444 | x-2/3,y-1/3,z-1/3 | 1 | crystal symmetry operation | 8_754 | -y+7/3,x-y+2/3,z-1/3 | 1 | crystal symmetry operation | 9_674 | -x+y+4/3,-x+8/3,z-1/3 | 1 |
Buried area | 10110 Å2 |
---|
ΔGint | -79 kcal/mol |
---|
Surface area | 11630 Å2 |
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Method | PISA |
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|
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3 | G: Beta-hairpin peptide derived from Abeta 17-36 H: Beta-hairpin peptide derived from Abeta 17-36 I: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules G: Beta-hairpin peptide derived from Abeta 17-36 H: Beta-hairpin peptide derived from Abeta 17-36 I: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules G: Beta-hairpin peptide derived from Abeta 17-36 H: Beta-hairpin peptide derived from Abeta 17-36 I: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules
P: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules P: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules P: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules
- defined by author&software
- 23.6 kDa, 12 polymers
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 23,646 | 30 |
---|
Polymers | 21,362 | 12 |
---|
Non-polymers | 2,284 | 18 |
---|
Water | 216 | 12 |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_765 | -y+2,x-y+1,z | 1 | crystal symmetry operation | 3_675 | -x+y+1,-x+2,z | 1 | crystal symmetry operation | 4_455 | x-1/3,y+1/3,z+1/3 | 1 | crystal symmetry operation | 5_655 | -y+5/3,x-y+1/3,z+1/3 | 1 | crystal symmetry operation | 6_675 | -x+y+5/3,-x+7/3,z+1/3 | 1 |
Buried area | 9960 Å2 |
---|
ΔGint | -78 kcal/mol |
---|
Surface area | 11420 Å2 |
---|
Method | PISA |
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|
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4 | J: Beta-hairpin peptide derived from Abeta 17-36 K: Beta-hairpin peptide derived from Abeta 17-36 L: Beta-hairpin peptide derived from Abeta 17-36 O: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules J: Beta-hairpin peptide derived from Abeta 17-36 K: Beta-hairpin peptide derived from Abeta 17-36 L: Beta-hairpin peptide derived from Abeta 17-36 O: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules J: Beta-hairpin peptide derived from Abeta 17-36 K: Beta-hairpin peptide derived from Abeta 17-36 L: Beta-hairpin peptide derived from Abeta 17-36 O: Beta-hairpin peptide derived from Abeta 17-36 hetero molecules
- defined by author&software
- 22.9 kDa, 12 polymers
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 22,885 | 24 |
---|
Polymers | 21,362 | 12 |
---|
Non-polymers | 1,523 | 12 |
---|
Water | 216 | 12 |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_755 | -y+2,x-y,z | 1 | crystal symmetry operation | 3_775 | -x+y+2,-x+2,z | 1 |
Buried area | 9420 Å2 |
---|
ΔGint | -77 kcal/mol |
---|
Surface area | 11010 Å2 |
---|
Method | PISA |
---|
|
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Unit cell | Length a, b, c (Å) | 68.185, 68.185, 168.564 |
---|
Angle α, β, γ (deg.) | 90.00, 90.00, 120.00 |
---|
Int Tables number | 146 |
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Space group name H-M | H3 |
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|
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Components on special symmetry positions | ID | Model | Components |
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1 | 1 | C-216-HOH | 2 | 1 | H-214-HOH |
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