Dipole vector (in atomic units): 25.99 -4.60 -37.33
Mass Moments vector: 162.60 211.99 163.67
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| show whole-molecule | ChainID = N | Spherical | STRUCTURE OF AN E1-E2-UBIQUITIN THIOESTER MIMETIC | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 652. | 80. | 104.44 | 11. | 11. | 0. | 220. | 67. | 0.0000 | 0.3368 |
| No.Dev.Units | -0.95 | -0.97 | -1.05 | -0.82 | -0.86 | 0.43 | -0.77 | -0.72 | 0.25 | -0.12 |
| Dipole vector (in atomic units): 25.99 -4.60 -37.33 Mass Moments vector: 162.60 211.99 163.67
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|
| show whole-molecule | ChainID = I | Spherical | STRUCTURE OF AN E1-E2-UBIQUITIN THIOESTER MIMETIC | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 7743. | 979. | 974.04 | 110. | 145. | -35. | 1052. | 22269. | -0.0045 | 0.1358 |
| No.Dev.Units | 5.09 | 5.05 | 4.73 | 5.09 | 5.93 | -4.14 | 1.22 | 5.93 | -0.55 | -0.83 |
| Dipole vector (in atomic units): 51.32 -212.33 15.42 Mass Moments vector: 1955.83 1407.44 1653.07
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|
| show whole-molecule | ChainID = J | Spherical | STRUCTURE OF AN E1-E2-UBIQUITIN THIOESTER MIMETIC | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1269. | 156. | 192.25 | 18. | 20. | -2. | 330. | 3018. | -0.0016 | 0.2598 |
| No.Dev.Units | -0.42 | -0.46 | -0.46 | -0.40 | -0.40 | 0.16 | -0.51 | 0.17 | -0.03 | -0.39 |
| Dipole vector (in atomic units): 3.99 -52.07 44.54 Mass Moments vector: 354.88 315.43 327.40
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