Dipole vector (in atomic units): 290.43 135.35 -68.65
Mass Moments vector: 959.14 723.69 586.35
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| show whole-molecule | ChainID = A | Elongated | KYNURENINE AMINOTRANSFERASE II INHIBITORS | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3245. | 415. | 445.66 | 37. | 41. | -4. | 1574. | 2755. | -0.0012 | 0.4850 |
| No.Dev.Units | 1.26 | 1.27 | 1.22 | 0.74 | 0.66 | -0.10 | 2.47 | 0.09 | 0.03 | 0.41 |
| Dipole vector (in atomic units): 290.43 135.35 -68.65 Mass Moments vector: 959.14 723.69 586.35
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|
| show whole-molecule | ChainID = B | Elongated | KYNURENINE AMINOTRANSFERASE II INHIBITORS | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3344. | 428. | 454.51 | 40. | 43. | -3. | 1343. | 652. | -0.0009 | 0.4017 |
| No.Dev.Units | 1.34 | 1.36 | 1.28 | 0.91 | 0.76 | 0.03 | 1.92 | -0.54 | 0.09 | 0.11 |
| Dipole vector (in atomic units): -252.27 -116.89 30.23 Mass Moments vector: 897.60 873.72 538.62
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|
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