Dipole vector (in atomic units): -5.86 0.05 7.66
Mass Moments vector: 142.15 152.19 151.71
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| show whole-molecule | ChainID = A | Spherical | THE 1.5 A RESOLUTION CRYSTAL STRUCTURE OF [FE3S4]- FERREDOXIN FROM THE HYPERTHERMOPHI | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 544. | 66. | 85.88 | 4. | 16. | -12. | 46. | 372. | -0.0221 | 0.0852 |
| No.Dev.Units | -1.04 | -1.07 | -1.17 | -1.23 | -0.60 | -1.14 | -1.19 | -0.62 | -3.62 | -1.01 |
| Dipole vector (in atomic units): -5.86 0.05 7.66 Mass Moments vector: 142.15 152.19 151.71
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|
| show whole-molecule | ChainID = B | Spherical | THE 1.5 A RESOLUTION CRYSTAL STRUCTURE OF [FE3S4]- FERREDOXIN FROM THE HYPERTHERMOPHI | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 553. | 66. | 86.96 | 4. | 16. | -12. | 83. | 570. | -0.0217 | 0.1493 |
| No.Dev.Units | -1.03 | -1.07 | -1.16 | -1.23 | -0.60 | -1.14 | -1.10 | -0.57 | -3.56 | -0.78 |
| Dipole vector (in atomic units): 0.22 2.98 -16.93 Mass Moments vector: 165.65 153.06 131.11
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