Dipole vector (in atomic units): 18.40 -11.88 1.88
Mass Moments vector: 307.79 462.52 357.62
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| show whole-molecule | ChainID = A | Elongated | CRYSTAL STRUCTURE OF PYROCOCCUS FURIOSUS PHOSPHOGLUCOSE ENZYME | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1519. | 189. | 220.24 | 24. | 33. | -9. | 106. | 1197. | -0.0059 | 0.0695 |
| No.Dev.Units | -0.21 | -0.24 | -0.28 | -0.04 | 0.26 | -0.75 | -1.05 | -0.38 | -0.79 | -1.06 |
| Dipole vector (in atomic units): 18.40 -11.88 1.88 Mass Moments vector: 307.79 462.52 357.62
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|
| show whole-molecule | ChainID = B | Elongated | CRYSTAL STRUCTURE OF PYROCOCCUS FURIOSUS PHOSPHOGLUCOSE ENZYME | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1519. | 189. | 219.79 | 24. | 33. | -9. | 114. | 1048. | -0.0059 | 0.0748 |
| No.Dev.Units | -0.21 | -0.24 | -0.28 | -0.04 | 0.26 | -0.75 | -1.03 | -0.42 | -0.79 | -1.04 |
| Dipole vector (in atomic units): -14.88 18.36 1.31 Mass Moments vector: 323.88 462.86 340.06
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