Dipole vector (in atomic units): -70.72 -81.35 -8.79
Mass Moments vector: 369.37 518.43 709.84
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| show whole-molecule | ChainID = A | Elongated | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TRANSCR INITIATION COMPLEX CONTAINING 4NT | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1704. | 224. | 317.82 | 24. | 31. | -7. | 519. | 1502. | -0.0041 | 0.3048 |
| No.Dev.Units | -0.05 | -0.01 | 0.37 | -0.04 | 0.16 | -0.49 | -0.06 | -0.29 | -0.48 | -0.23 |
| Dipole vector (in atomic units): -70.72 -81.35 -8.79 Mass Moments vector: 369.37 518.43 709.84
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| show whole-molecule | ChainID = B | Elongated | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TRANSCR INITIATION COMPLEX CONTAINING 4NT | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1715. | 227. | 314.20 | 23. | 33. | -9. | 494. | 4312. | -0.0052 | 0.2883 |
| No.Dev.Units | -0.04 | 0.01 | 0.35 | -0.10 | 0.26 | -0.75 | -0.12 | 0.56 | -0.68 | -0.29 |
| Dipole vector (in atomic units): 2.24 -91.77 46.55 Mass Moments vector: 368.26 634.39 591.98
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| show whole-molecule | ChainID = C | Spherical | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TRANSCR INITIATION COMPLEX CONTAINING 4NT | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 8714. | 1126. | 1119.80 | 127. | 182. | -55. | 1617. | 26042. | -0.0063 | 0.1856 |
| No.Dev.Units | 5.92 | 6.04 | 5.70 | 6.11 | 7.81 | -6.75 | 2.57 | 7.06 | -0.86 | -0.65 |
| Dipole vector (in atomic units): 41.81 -294.83 157.25 Mass Moments vector: 1996.60 1663.58 2128.76
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| show whole-molecule | ChainID = D | Elongated | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TRANSCR INITIATION COMPLEX CONTAINING 4NT | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 9887. | 1265. | 1402.94 | 174. | 186. | -13. | 5436. | 92464. | -0.0013 | 0.5499 |
| No.Dev.Units | 6.92 | 6.97 | 7.57 | 8.91 | 8.01 | -1.27 | 11.71 | 26.96 | 0.01 | 0.64 |
| Dipole vector (in atomic units): 124.70 1059.67 377.75 Mass Moments vector: 1967.01 1862.06 3221.45
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| show whole-molecule | ChainID = E | Elongated | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TRANSCR INITIATION COMPLEX CONTAINING 4NT | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 637. | 81. | 114.42 | 7. | 13. | -6. | 332. | 878. | -0.0094 | 0.5208 |
| No.Dev.Units | -0.96 | -0.96 | -0.98 | -1.05 | -0.76 | -0.36 | -0.50 | -0.47 | -1.41 | 0.54 |
| Dipole vector (in atomic units): -57.00 20.92 32.92 Mass Moments vector: 223.78 208.55 155.73
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| show whole-molecule | ChainID = F | Elongated | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TRANSCR INITIATION COMPLEX CONTAINING 4NT | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 2555. | 322. | 633.81 | 46. | 53. | -8. | 1669. | 12084. | -0.0031 | 0.6534 |
| No.Dev.Units | 0.67 | 0.65 | 2.47 | 1.27 | 1.27 | -0.62 | 2.70 | 2.88 | -0.30 | 1.01 |
| Dipole vector (in atomic units): 153.22 -34.99 310.02 Mass Moments vector: 995.60 840.86 1384.64
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