Dipole vector (in atomic units): -30.63 -84.63 33.67
Mass Moments vector: 375.99 353.44 336.16
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| show whole-molecule | ChainID = A | Spherical | X-RAY CRYSTAL STRUCTURE OF THE PYL2-PYRABACTIN A COMPLE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1429. | 177. | 205.29 | 21. | 25. | -4. | 462. | 1778. | -0.0028 | 0.3230 |
| No.Dev.Units | -0.29 | -0.32 | -0.38 | -0.22 | -0.15 | -0.10 | -0.19 | -0.20 | -0.25 | -0.16 |
| Dipole vector (in atomic units): -30.63 -84.63 33.67 Mass Moments vector: 375.99 353.44 336.16
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|
| show whole-molecule | ChainID = B | Elongated | X-RAY CRYSTAL STRUCTURE OF THE PYL2-PYRABACTIN A COMPLE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1433. | 179. | 207.16 | 22. | 25. | -3. | 434. | 1150. | -0.0021 | 0.3028 |
| No.Dev.Units | -0.28 | -0.31 | -0.36 | -0.16 | -0.15 | 0.03 | -0.26 | -0.39 | -0.12 | -0.24 |
| Dipole vector (in atomic units): 51.41 71.70 -19.48 Mass Moments vector: 433.00 293.95 335.18
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