Dipole vector (in atomic units): -18.81 17.04 54.33
Mass Moments vector: 868.37 682.48 712.49
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| show whole-molecule | ChainID = A | Spherical | IDH1 R132H MUTANT IN COMPLEX WITH IDH305 | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3162. | 399. | 438.11 | 48. | 51. | -2. | 288. | 1611. | -0.0006 | 0.0911 |
| No.Dev.Units | 1.19 | 1.17 | 1.17 | 1.39 | 1.17 | 0.16 | -0.61 | -0.25 | 0.13 | -0.99 |
| Dipole vector (in atomic units): -18.81 17.04 54.33 Mass Moments vector: 868.37 682.48 712.49
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|
| show whole-molecule | ChainID = C | Spherical | IDH1 R132H MUTANT IN COMPLEX WITH IDH305 | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3249. | 410. | 441.46 | 50. | 54. | -3. | 199. | 858. | -0.0009 | 0.0613 |
| No.Dev.Units | 1.26 | 1.24 | 1.19 | 1.51 | 1.32 | 0.03 | -0.82 | -0.48 | 0.08 | -1.09 |
| Dipole vector (in atomic units): -39.71 -2.12 11.65 Mass Moments vector: 831.01 683.11 772.49
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