Deposited unit | A: Capsid B: Capsid C: Capsid D: Capsid E: Capsid F: Capsid G: Capsid H: Capsid I: Capsid J: Capsid hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 350,141 | 18 |
---|
Polymers | 343,311 | 10 |
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Non-polymers | 6,830 | 8 |
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Water | 0 | 0 |
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|
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1 | A: Capsid hetero molecules
D: Capsid hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 71,224 | 5 |
---|
Polymers | 68,662 | 2 |
---|
Non-polymers | 2,561 | 3 |
---|
Water | 0 | |
---|
Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 3_554 | -x,y,-z-1/2 | 1 |
Buried area | 1520 Å2 |
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ΔGint | -11 kcal/mol |
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Surface area | 25830 Å2 |
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Method | PISA |
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|
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2 | B: Capsid J: Capsid hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 69,516 | 3 |
---|
Polymers | 68,662 | 2 |
---|
Non-polymers | 854 | 1 |
---|
Water | 0 | |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 |
Buried area | 3060 Å2 |
---|
ΔGint | 20 kcal/mol |
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Surface area | 26970 Å2 |
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Method | PISA |
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|
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3 | C: Capsid hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 35,185 | 2 |
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Polymers | 34,331 | 1 |
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Non-polymers | 854 | 1 |
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Water | 0 | |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
|
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4 | E: Capsid hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 69,516 | 3 |
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Polymers | 68,662 | 2 |
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Non-polymers | 854 | 1 |
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Water | 0 | |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 6_455 | -x-1/2,-y+1/2,z+1/2 | 1 |
Buried area | 1280 Å2 |
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ΔGint | -10 kcal/mol |
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Surface area | 25620 Å2 |
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Method | PISA |
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|
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5 |
G: Capsid hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 70,370 | 4 |
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Polymers | 68,662 | 2 |
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Non-polymers | 1,708 | 2 |
---|
Water | 0 | |
---|
Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 4_554 | x,-y,-z-1 | 1 |
Buried area | 3260 Å2 |
---|
ΔGint | 21 kcal/mol |
---|
Surface area | 26940 Å2 |
---|
Method | PISA |
---|
|
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6 |
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 68,662 | 2 |
---|
Polymers | 68,662 | 2 |
---|
Non-polymers | 0 | 0 |
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Water | 0 | |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 3_454 | -x-1,y,-z-1/2 | 1 |
Buried area | 1100 Å2 |
---|
ΔGint | -9 kcal/mol |
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Surface area | 25410 Å2 |
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Method | PISA |
---|
|
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Unit cell | Length a, b, c (Å) | 242.220, 339.028, 124.332 |
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Angle α, β, γ (deg.) | 90.00, 90.00, 90.00 |
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Int Tables number | 20 |
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Space group name H-M | C2221 |
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Noncrystallographic symmetry (NCS) | NCS domain: ID | Ens-ID | Details |
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1 | 1 | A2 | 1 | B3 | 1 | C1 | 2 | D2 | 2 | E1 | 3 | F2 | 3 | G3 | 3 | J1 | 4 | H2 | 4 | I | | | | | | | | | |
NCS domain segments: Refine code: 4 Dom-ID | Component-ID | Ens-ID | Beg auth comp-ID | Beg label comp-ID | End auth comp-ID | End label comp-ID | Auth asym-ID | Label asym-ID | Auth seq-ID | Label seq-ID |
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1 | 1 | 1 | THRTHRGLYGLYAA224 - 270 | 4 - 50 | 2 | 1 | 1 | THRTHRGLYGLYBB224 - 270 | 4 - 50 | 3 | 1 | 1 | THRTHRGLYGLYCC224 - 270 | 4 - 50 | 1 | 2 | 1 | LEULEUALAALAAA272 - 304 | 52 - 84 | 2 | 2 | 1 | LEULEUALAALABB272 - 304 | 52 - 84 | 3 | 2 | 1 | LEULEUALAALACC272 - 304 | 52 - 84 | 1 | 3 | 1 | GLNGLNMETMETAA306 - 530 | 86 - 310 | 2 | 3 | 1 | GLNGLNMETMETBB306 - 530 | 86 - 310 | 3 | 3 | 1 | GLNGLNMETMETCC306 - 530 | 86 - 310 | 1 | 1 | 2 | LYSLYSMETMETDD225 - 530 | 5 - 310 | 2 | 1 | 2 | LYSLYSMETMETEE225 - 530 | 5 - 310 | 1 | 1 | 3 | LYSLYSARGARGFF225 - 411 | 5 - 191 | 2 | 1 | 3 | LYSLYSARGARGGG | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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