Dipole vector (in atomic units): -78.54 -13.64 -17.77
Mass Moments vector: 357.19 454.13 499.85
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| show whole-molecule | ChainID = A | Spherical | CASPASE-8 SPECIFIC UNNATURAL AMINO ACID PEPTIDES | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1885. | 238. | 254.66 | 29. | 29. | 0. | 392. | 2365. | 0.0000 | 0.2081 |
| No.Dev.Units | 0.10 | 0.09 | -0.05 | 0.26 | 0.05 | 0.43 | -0.36 | -0.03 | 0.25 | -0.57 |
| Dipole vector (in atomic units): -78.54 -13.64 -17.77 Mass Moments vector: 357.19 454.13 499.85
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|
| show whole-molecule | ChainID = E | Elongated | CASPASE-8 SPECIFIC UNNATURAL AMINO ACID PEPTIDES | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 17. | 2. | 4.75 | 0. | -0. | 0. | 31. | 7. | 0.0000 | 1.8224 |
| No.Dev.Units | -1.49 | -1.49 | -1.71 | -1.47 | -1.42 | 0.43 | -1.22 | -0.73 | 0.25 | 5.14 |
| Dipole vector (in atomic units): 0.34 -3.21 5.58 Mass Moments vector: 9.88 8.23 6.16
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