Deposited unit | A: CC-Type2-IL-Sg B: CC-Type2-IL-Sg C: CC-Type2-IL-Sg D: CC-Type2-IL-Sg E: CC-Type2-IL-Sg F: CC-Type2-IL-Sg G: CC-Type2-IL-Sg H: CC-Type2-IL-Sg I: CC-Type2-IL-Sg J: CC-Type2-IL-Sg K: CC-Type2-IL-Sg L: CC-Type2-IL-Sg M: CC-Type2-IL-Sg N: CC-Type2-IL-Sg O: CC-Type2-IL-Sg P: CC-Type2-IL-Sg Q: CC-Type2-IL-Sg R: CC-Type2-IL-Sg hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 59,572 | 20 |
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Polymers | 59,380 | 18 |
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Non-polymers | 192 | 2 |
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Water | 4,161 | 231 |
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1 | A: CC-Type2-IL-Sg B: CC-Type2-IL-Sg C: CC-Type2-IL-Sg D: CC-Type2-IL-Sg E: CC-Type2-IL-Sg F: CC-Type2-IL-Sg
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 19,793 | 6 |
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Polymers | 19,793 | 6 |
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Non-polymers | 0 | 0 |
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Water | 108 | 6 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 10010 Å2 |
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ΔGint | -107 kcal/mol |
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Surface area | 9010 Å2 |
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Method | PISA |
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2 | G: CC-Type2-IL-Sg H: CC-Type2-IL-Sg I: CC-Type2-IL-Sg J: CC-Type2-IL-Sg K: CC-Type2-IL-Sg L: CC-Type2-IL-Sg hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 19,985 | 8 |
---|
Polymers | 19,793 | 6 |
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Non-polymers | 192 | 2 |
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Water | 108 | 6 |
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Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 |
Buried area | 9920 Å2 |
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ΔGint | -123 kcal/mol |
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Surface area | 9010 Å2 |
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Method | PISA |
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|
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3 | M: CC-Type2-IL-Sg N: CC-Type2-IL-Sg O: CC-Type2-IL-Sg P: CC-Type2-IL-Sg Q: CC-Type2-IL-Sg R: CC-Type2-IL-Sg
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 19,793 | 6 |
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Polymers | 19,793 | 6 |
---|
Non-polymers | 0 | 0 |
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Water | 108 | 6 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 9640 Å2 |
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ΔGint | -99 kcal/mol |
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Surface area | 8970 Å2 |
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Method | PISA |
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|
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Unit cell | Length a, b, c (Å) | 58.361, 90.030, 112.470 |
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Angle α, β, γ (deg.) | 90.000, 90.000, 90.000 |
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Int Tables number | 18 |
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Space group name H-M | P22121 |
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Components on special symmetry positions | ID | Model | Components |
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1 | 1 | A-120-![](data/chem/img/HOH.gif) HOH | 2 | 1 | A-122-![](data/chem/img/HOH.gif) HOH |
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