Dipole vector (in atomic units): 1.97 63.32 -27.15
Mass Moments vector: 416.38 588.32 660.95
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| show whole-molecule | ChainID = A | Elongated | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEX WITH A 6-CYCLOHEXYLMETHYLOXY-2-ANI | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 2377. | 295. | 325.98 | 36. | 32. | 4. | 331. | 3635. | 0.0017 | 0.1393 |
| No.Dev.Units | 0.52 | 0.47 | 0.43 | 0.68 | 0.21 | 0.95 | -0.51 | 0.35 | 0.54 | -0.81 |
| Dipole vector (in atomic units): 1.97 63.32 -27.15 Mass Moments vector: 416.38 588.32 660.95
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|
| show whole-molecule | ChainID = B | Spherical | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEX WITH A 6-CYCLOHEXYLMETHYLOXY-2-ANI | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 2089. | 258. | 278.68 | 26. | 29. | -3. | 736. | 4218. | -0.0014 | 0.3526 |
| No.Dev.Units | 0.27 | 0.22 | 0.11 | 0.08 | 0.05 | 0.03 | 0.46 | 0.53 | -0.01 | -0.06 |
| Dipole vector (in atomic units): 61.35 57.43 -128.26 Mass Moments vector: 435.00 465.17 541.63
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