Dipole vector (in atomic units): 26.91 -18.22 14.00
Mass Moments vector: 331.35 332.29 170.25
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| show whole-molecule | ChainID = A | Elongated | MECHANISM OF TRANSHYDROGENASE COUPLING PROTON TRANSLOCA HYDRIDE TRANSFER | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 713. | 94. | 166.40 | 5. | 6. | -1. | 170. | 686. | -0.0014 | 0.2384 |
| No.Dev.Units | -0.90 | -0.88 | -0.63 | -1.17 | -1.11 | 0.30 | -0.89 | -0.53 | -0.00 | -0.46 |
| Dipole vector (in atomic units): 26.91 -18.22 14.00 Mass Moments vector: 331.35 332.29 170.25
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|
| show whole-molecule | ChainID = B | Elongated | MECHANISM OF TRANSHYDROGENASE COUPLING PROTON TRANSLOCA HYDRIDE TRANSFER | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3250. | 440. | 540.71 | 32. | 30. | 2. | 597. | 3573. | 0.0006 | 0.1837 |
| No.Dev.Units | 1.26 | 1.44 | 1.85 | 0.44 | 0.10 | 0.69 | 0.13 | 0.33 | 0.35 | -0.66 |
| Dipole vector (in atomic units): 18.47 -14.76 122.03 Mass Moments vector: 903.72 1134.42 726.42
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| show whole-molecule | ChainID = C | Prolate | MECHANISM OF TRANSHYDROGENASE COUPLING PROTON TRANSLOCA HYDRIDE TRANSFER | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 677. | 90. | 155.76 | 3. | 5. | -2. | 105. | 450. | -0.0030 | 0.1558 |
| No.Dev.Units | -0.93 | -0.90 | -0.70 | -1.29 | -1.16 | 0.16 | -1.05 | -0.60 | -0.27 | -0.76 |
| Dipole vector (in atomic units): -12.36 12.31 -13.35 Mass Moments vector: 344.88 299.28 99.16
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| show whole-molecule | ChainID = D | Spherical | MECHANISM OF TRANSHYDROGENASE COUPLING PROTON TRANSLOCA HYDRIDE TRANSFER | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3235. | 437. | 486.30 | 32. | 30. | 2. | 400. | 8045. | 0.0006 | 0.1236 |
| No.Dev.Units | 1.25 | 1.42 | 1.49 | 0.44 | 0.10 | 0.69 | -0.34 | 1.67 | 0.35 | -0.87 |
| Dipole vector (in atomic units): 2.49 15.96 -81.67 Mass Moments vector: 867.00 947.99 691.38
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| show whole-molecule | ChainID = E | Elongated | MECHANISM OF TRANSHYDROGENASE COUPLING PROTON TRANSLOCA HYDRIDE TRANSFER | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 2794. | 372. | 400.89 | 43. | 44. | -1. | 400. | 1968. | -0.0004 | 0.1431 |
| No.Dev.Units | 0.87 | 0.99 | 0.92 | 1.09 | 0.81 | 0.30 | -0.34 | -0.15 | 0.18 | -0.80 |
| Dipole vector (in atomic units): -57.48 34.60 -49.25 Mass Moments vector: 893.10 576.14 562.91
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| show whole-molecule | ChainID = F | Spherical | MECHANISM OF TRANSHYDROGENASE COUPLING PROTON TRANSLOCA HYDRIDE TRANSFER | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 2765. | 369. | 395.74 | 43. | 43. | -0. | 405. | 2561. | -0.0000 | 0.1463 |
| No.Dev.Units | 0.85 | 0.97 | 0.89 | 1.09 | 0.76 | 0.43 | -0.33 | 0.03 | 0.25 | -0.79 |
| Dipole vector (in atomic units): -35.60 65.24 39.62 Mass Moments vector: 694.12 781.64 562.76
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