Dipole vector (in atomic units): 70.43 -137.96 -89.31
Mass Moments vector: 508.97 730.99 507.77
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| show whole-molecule | ChainID = E | Elongated | CRYSTAL STRUCTURE OF A TRANSITION STATE MIMIC OF THE CA OF CAMP-DEPENDENT PROTEIN KINASE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 2700. | 338. | 341.77 | 48. | 43. | 5. | 859. | 1588. | 0.0019 | 0.3181 |
| No.Dev.Units | 0.79 | 0.76 | 0.53 | 1.39 | 0.76 | 1.08 | 0.76 | -0.26 | 0.57 | -0.18 |
| Dipole vector (in atomic units): 70.43 -137.96 -89.31 Mass Moments vector: 508.97 730.99 507.77
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| show whole-molecule | ChainID = I | Prolate | CRYSTAL STRUCTURE OF A TRANSITION STATE MIMIC OF THE CA OF CAMP-DEPENDENT PROTEIN KINASE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 155. | 20. | 47.86 | 3. | 2. | 1. | 209. | 839. | 0.0065 | 1.3498 |
| No.Dev.Units | -1.37 | -1.37 | -1.42 | -1.29 | -1.31 | 0.56 | -0.80 | -0.48 | 1.38 | 3.47 |
| Dipole vector (in atomic units): -19.76 -18.74 33.99 Mass Moments vector: 40.01 84.76 108.77
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