Dipole vector (in atomic units): 77.53 8.21 -76.40
Mass Moments vector: 217.03 123.67 275.05
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| show whole-molecule | ChainID = A | Prolate | COMPCC IN COMPLEX WITH FATTY ACIDS | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 362. | 45. | 123.85 | 5. | 8. | -3. | 524. | 1202. | -0.0083 | 1.4483 |
| No.Dev.Units | -1.20 | -1.21 | -0.92 | -1.17 | -1.01 | 0.03 | -0.04 | -0.38 | -1.21 | 3.82 |
| Dipole vector (in atomic units): 77.53 8.21 -76.40 Mass Moments vector: 217.03 123.67 275.05
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|
| show whole-molecule | ChainID = B | Elongated | COMPCC IN COMPLEX WITH FATTY ACIDS | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 362. | 45. | 125.32 | 5. | 8. | -3. | 578. | 1863. | -0.0083 | 1.5978 |
| No.Dev.Units | -1.20 | -1.21 | -0.91 | -1.17 | -1.01 | 0.03 | 0.09 | -0.18 | -1.21 | 4.35 |
| Dipole vector (in atomic units): 83.23 -2.14 -87.01 Mass Moments vector: 297.11 98.87 208.09
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|
| show whole-molecule | ChainID = C | Elongated | COMPCC IN COMPLEX WITH FATTY ACIDS | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 362. | 45. | 124.13 | 5. | 8. | -3. | 562. | 1192. | -0.0083 | 1.5536 |
| No.Dev.Units | -1.20 | -1.21 | -0.91 | -1.17 | -1.01 | 0.03 | 0.05 | -0.38 | -1.21 | 4.19 |
| Dipole vector (in atomic units): 76.94 9.28 -87.78 Mass Moments vector: 301.26 63.46 209.51
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|
| show whole-molecule | ChainID = D | Prolate | COMPCC IN COMPLEX WITH FATTY ACIDS | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 362. | 45. | 124.55 | 5. | 8. | -3. | 534. | 1631. | -0.0083 | 1.4748 |
| No.Dev.Units | -1.20 | -1.21 | -0.91 | -1.17 | -1.01 | 0.03 | -0.02 | -0.25 | -1.21 | 3.91 |
| Dipole vector (in atomic units): 66.10 16.11 -87.90 Mass Moments vector: 225.74 87.46 284.63
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| show whole-molecule | ChainID = E | Elongated | COMPCC IN COMPLEX WITH FATTY ACIDS | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 362. | 45. | 123.97 | 5. | 8. | -3. | 554. | 2445. | -0.0083 | 1.5294 |
| No.Dev.Units | -1.20 | -1.21 | -0.92 | -1.17 | -1.01 | 0.03 | 0.03 | -0.00 | -1.21 | 4.11 |
| Dipole vector (in atomic units): 79.22 24.10 -80.20 Mass Moments vector: 179.19 61.46 320.05
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