Dipole vector (in atomic units): 121.69 -80.98 101.21
Mass Moments vector: 872.13 733.91 937.97
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| show whole-molecule | ChainID = A | Spherical | CRYSTAL STRUCTURE OF FAB CR6261 IN COMPLEX WITH THE 191 INFLUENZA VIRUS HEMAGGLUTININ | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 2501. | 327. | 492.05 | 30. | 30. | 0. | 854. | 4725. | 0.0000 | 0.3414 |
| No.Dev.Units | 0.63 | 0.68 | 1.53 | 0.32 | 0.10 | 0.43 | 0.74 | 0.68 | 0.25 | -0.10 |
| Dipole vector (in atomic units): 121.69 -80.98 101.21 Mass Moments vector: 872.13 733.91 937.97
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|
| show whole-molecule | ChainID = B | Elongated | CRYSTAL STRUCTURE OF FAB CR6261 IN COMPLEX WITH THE 191 INFLUENZA VIRUS HEMAGGLUTININ | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1399. | 173. | 343.91 | 19. | 28. | -9. | 754. | 1300. | -0.0064 | 0.5391 |
| No.Dev.Units | -0.31 | -0.35 | 0.54 | -0.34 | 0.00 | -0.75 | 0.51 | -0.35 | -0.88 | 0.60 |
| Dipole vector (in atomic units): 25.64 -77.76 133.99 Mass Moments vector: 485.83 699.31 582.61
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| show whole-molecule | ChainID = H | Elongated | CRYSTAL STRUCTURE OF FAB CR6261 IN COMPLEX WITH THE 191 INFLUENZA VIRUS HEMAGGLUTININ | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1209. | 159. | 216.68 | 15. | 12. | 2. | 191. | 1439. | 0.0017 | 0.1578 |
| No.Dev.Units | -0.48 | -0.44 | -0.30 | -0.58 | -0.81 | 0.69 | -0.84 | -0.31 | 0.54 | -0.75 |
| Dipole vector (in atomic units): -24.14 -14.93 -27.80 Mass Moments vector: 541.27 254.03 255.06
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| show whole-molecule | ChainID = L | Elongated | CRYSTAL STRUCTURE OF FAB CR6261 IN COMPLEX WITH THE 191 INFLUENZA VIRUS HEMAGGLUTININ | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1085. | 150. | 233.13 | 12. | 10. | 2. | 662. | 3190. | 0.0018 | 0.6097 |
| No.Dev.Units | -0.58 | -0.50 | -0.19 | -0.76 | -0.91 | 0.69 | 0.28 | 0.22 | 0.57 | 0.85 |
| Dipole vector (in atomic units): -136.31 4.78 -19.25 Mass Moments vector: 592.21 224.78 296.47
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