Dipole vector (in atomic units): -15.38 22.63 64.05
Mass Moments vector: 334.47 361.61 424.03
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| show whole-molecule | ChainID = A | Spherical | CRYSTAL STRUCTURE OF THERMOCOCCUS LITORALIS PHOSPHOGRUC COMPLEXED WITH GLUCONATE-6-PHOSPHA | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1500. | 187. | 216.65 | 25. | 31. | -6. | 335. | 1824. | -0.0040 | 0.2230 |
| No.Dev.Units | -0.23 | -0.25 | -0.30 | 0.02 | 0.16 | -0.36 | -0.50 | -0.19 | -0.46 | -0.52 |
| Dipole vector (in atomic units): -15.38 22.63 64.05 Mass Moments vector: 334.47 361.61 424.03
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|
| show whole-molecule | ChainID = B | Spherical | CRYSTAL STRUCTURE OF THERMOCOCCUS LITORALIS PHOSPHOGRUC COMPLEXED WITH GLUCONATE-6-PHOSPHA | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1483. | 185. | 211.91 | 24. | 31. | -7. | 214. | 1356. | -0.0047 | 0.1444 |
| No.Dev.Units | -0.24 | -0.27 | -0.33 | -0.04 | 0.16 | -0.49 | -0.79 | -0.33 | -0.58 | -0.80 |
| Dipole vector (in atomic units): -14.73 -26.80 -32.43 Mass Moments vector: 364.84 347.86 387.34
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