Dipole vector (in atomic units): -197.57 -367.05 -366.49
Mass Moments vector: 1810.65 1971.34 1869.11
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| show whole-molecule | ChainID = A | Spherical | CRYSTAL STRUCTURE OF THE FREE RADICAL INTERMEDIATE OF PYRUVATE:FERREDOXIN OXIDOREDUCTASE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 9383. | 1231. | 1088.23 | 133. | 140. | -7. | 2666. | 15139. | -0.0007 | 0.2841 |
| No.Dev.Units | 6.49 | 6.74 | 5.49 | 6.46 | 5.68 | -0.49 | 5.08 | 3.80 | 0.11 | -0.30 |
| Dipole vector (in atomic units): -197.57 -367.05 -366.49 Mass Moments vector: 1810.65 1971.34 1869.11
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|
| show whole-molecule | ChainID = B | Spherical | CRYSTAL STRUCTURE OF THE FREE RADICAL INTERMEDIATE OF PYRUVATE:FERREDOXIN OXIDOREDUCTASE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 9383. | 1231. | 1086.97 | 133. | 140. | -7. | 2648. | 5491. | -0.0007 | 0.2822 |
| No.Dev.Units | 6.49 | 6.74 | 5.48 | 6.46 | 5.68 | -0.49 | 5.04 | 0.91 | 0.11 | -0.31 |
| Dipole vector (in atomic units): 206.65 511.06 3.61 Mass Moments vector: 1743.32 2001.00 1894.81
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