Dipole vector (in atomic units): 34.53 -20.72 -326.26
Mass Moments vector: 669.56 805.68 1322.43
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| show whole-molecule | ChainID = A | Elongated | DETAILED STRUCTURAL INSIGHT INTO THE DNA CLEAVAGE COMPL TOPOISOMERASES (CLEAVED FORM) | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3453. | 474. | 562.36 | 67. | 72. | -5. | 1579. | 13242. | -0.0014 | 0.4573 |
| No.Dev.Units | 1.44 | 1.67 | 1.99 | 2.53 | 2.23 | -0.23 | 2.48 | 3.23 | -0.01 | 0.31 |
| Dipole vector (in atomic units): 34.53 -20.72 -326.26 Mass Moments vector: 669.56 805.68 1322.43
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|
| show whole-molecule | ChainID = B | Elongated | DETAILED STRUCTURAL INSIGHT INTO THE DNA CLEAVAGE COMPL TOPOISOMERASES (CLEAVED FORM) | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3434. | 474. | 560.66 | 67. | 72. | -5. | 1588. | 14191. | -0.0015 | 0.4623 |
| No.Dev.Units | 1.42 | 1.67 | 1.98 | 2.53 | 2.23 | -0.23 | 2.50 | 3.51 | -0.01 | 0.33 |
| Dipole vector (in atomic units): -33.52 18.73 -328.32 Mass Moments vector: 665.94 805.34 1317.95
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|
| show whole-molecule | ChainID = C | Elongated | DETAILED STRUCTURAL INSIGHT INTO THE DNA CLEAVAGE COMPL TOPOISOMERASES (CLEAVED FORM) | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1603. | 220. | 245.81 | 33. | 31. | 3. | 344. | 2080. | 0.0019 | 0.2146 |
| No.Dev.Units | -0.14 | -0.03 | -0.11 | 0.50 | 0.16 | 0.82 | -0.48 | -0.11 | 0.57 | -0.55 |
| Dipole vector (in atomic units): -69.97 15.25 -1.45 Mass Moments vector: 288.54 456.20 502.44
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|
| show whole-molecule | ChainID = D | Elongated | DETAILED STRUCTURAL INSIGHT INTO THE DNA CLEAVAGE COMPL TOPOISOMERASES (CLEAVED FORM) | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1589. | 218. | 242.90 | 31. | 31. | 1. | 431. | 1393. | 0.0006 | 0.2712 |
| No.Dev.Units | -0.15 | -0.05 | -0.13 | 0.38 | 0.16 | 0.56 | -0.27 | -0.32 | 0.36 | -0.35 |
| Dipole vector (in atomic units): 62.71 22.94 -59.95 Mass Moments vector: 287.14 452.24 493.97
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