Dipole vector (in atomic units): -50.02 -50.64 -161.03
Mass Moments vector: 834.53 809.73 979.96
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| show whole-molecule | ChainID = A | Spherical | CRYSTAL STRUCTURE OF TETRAMERIC HUMAN WT-SAMHD1 (RESIDU WITH GTP, DATP, DCMPNPP AND MG | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3840. | 481. | 506.89 | 66. | 65. | 1. | 846. | 2362. | 0.0003 | 0.2202 |
| No.Dev.Units | 1.77 | 1.72 | 1.63 | 2.47 | 1.88 | 0.56 | 0.72 | -0.03 | 0.29 | -0.53 |
| Dipole vector (in atomic units): -50.02 -50.64 -161.03 Mass Moments vector: 834.53 809.73 979.96
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|
| show whole-molecule | ChainID = B | Spherical | CRYSTAL STRUCTURE OF TETRAMERIC HUMAN WT-SAMHD1 (RESIDU WITH GTP, DATP, DCMPNPP AND MG | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3825. | 478. | 504.38 | 66. | 64. | 2. | 733. | 1900. | 0.0005 | 0.1917 |
| No.Dev.Units | 1.75 | 1.70 | 1.61 | 2.47 | 1.83 | 0.69 | 0.46 | -0.17 | 0.34 | -0.63 |
| Dipole vector (in atomic units): -42.09 33.60 142.87 Mass Moments vector: 801.81 808.77 996.28
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|
| show whole-molecule | ChainID = C | Elongated | CRYSTAL STRUCTURE OF TETRAMERIC HUMAN WT-SAMHD1 (RESIDU WITH GTP, DATP, DCMPNPP AND MG | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3854. | 480. | 506.84 | 66. | 65. | 1. | 852. | 2909. | 0.0003 | 0.2210 |
| No.Dev.Units | 1.78 | 1.71 | 1.63 | 2.47 | 1.88 | 0.56 | 0.74 | 0.14 | 0.29 | -0.53 |
| Dipole vector (in atomic units): 50.50 -22.22 -168.56 Mass Moments vector: 830.14 662.47 1088.11
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| show whole-molecule | ChainID = D | Elongated | CRYSTAL STRUCTURE OF TETRAMERIC HUMAN WT-SAMHD1 (RESIDU WITH GTP, DATP, DCMPNPP AND MG | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3846. | 481. | 505.87 | 66. | 65. | 1. | 885. | 2476. | 0.0003 | 0.2301 |
| No.Dev.Units | 1.77 | 1.72 | 1.62 | 2.47 | 1.88 | 0.56 | 0.82 | 0.01 | 0.29 | -0.49 |
| Dipole vector (in atomic units): 54.40 3.62 176.04 Mass Moments vector: 821.04 699.77 1067.42
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