Dipole vector (in atomic units): 70.10 -163.60 -43.24
Mass Moments vector: 1256.14 821.99 875.34
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| show whole-molecule | ChainID = A | Elongated | CRYSTAL STRUCTURE OF RABBIT PHOSPHOGLUCOSE ISOMERASE CO PHOSPHO-D-ARABINONOHYDROXAMIC ACID | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 4477. | 556. | 579.25 | 59. | 58. | 1. | 880. | 7512. | 0.0002 | 0.1965 |
| No.Dev.Units | 2.31 | 2.22 | 2.11 | 2.05 | 1.52 | 0.56 | 0.81 | 1.51 | 0.28 | -0.61 |
| Dipole vector (in atomic units): 70.10 -163.60 -43.24 Mass Moments vector: 1256.14 821.99 875.34
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|
| show whole-molecule | ChainID = B | Elongated | CRYSTAL STRUCTURE OF RABBIT PHOSPHOGLUCOSE ISOMERASE CO PHOSPHO-D-ARABINONOHYDROXAMIC ACID | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 4400. | 556. | 576.19 | 59. | 58. | 1. | 795. | 9387. | 0.0002 | 0.1806 |
| No.Dev.Units | 2.24 | 2.22 | 2.09 | 2.05 | 1.52 | 0.56 | 0.60 | 2.08 | 0.29 | -0.67 |
| Dipole vector (in atomic units): 149.29 -68.95 18.45 Mass Moments vector: 809.14 1256.01 869.28
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