Dipole vector (in atomic units): 16.18 -17.32 -30.42
Mass Moments vector: 238.88 172.20 244.78
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| show whole-molecule | ChainID = D | Elongated | CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHA | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 823. | 103. | 127.64 | 13. | 11. | 2. | 185. | 440. | 0.0024 | 0.2250 |
| No.Dev.Units | -0.80 | -0.82 | -0.89 | -0.70 | -0.86 | 0.69 | -0.86 | -0.60 | 0.67 | -0.51 |
| Dipole vector (in atomic units): 16.18 -17.32 -30.42 Mass Moments vector: 238.88 172.20 244.78
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|
| show whole-molecule | ChainID = E | Spherical | CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHA | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 823. | 103. | 127.91 | 13. | 11. | 2. | 196. | 748. | 0.0024 | 0.2379 |
| No.Dev.Units | -0.80 | -0.82 | -0.89 | -0.70 | -0.86 | 0.69 | -0.83 | -0.51 | 0.67 | -0.47 |
| Dipole vector (in atomic units): 1.59 -17.65 -36.71 Mass Moments vector: 186.61 233.80 240.36
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|
| show whole-molecule | ChainID = F | Spherical | CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHA | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 816. | 103. | 126.74 | 13. | 11. | 2. | 160. | 478. | 0.0025 | 0.1964 |
| No.Dev.Units | -0.81 | -0.82 | -0.90 | -0.70 | -0.86 | 0.69 | -0.92 | -0.59 | 0.68 | -0.61 |
| Dipole vector (in atomic units): 4.36 15.90 -29.01 Mass Moments vector: 222.26 189.87 243.15
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|
| show whole-molecule | ChainID = G | Spherical | CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHA | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 818. | 103. | 127.37 | 13. | 11. | 2. | 167. | 1130. | 0.0024 | 0.2042 |
| No.Dev.Units | -0.81 | -0.82 | -0.89 | -0.70 | -0.86 | 0.69 | -0.90 | -0.40 | 0.67 | -0.58 |
| Dipole vector (in atomic units): 12.13 14.65 -29.11 Mass Moments vector: 221.44 199.71 238.92
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|
| show whole-molecule | ChainID = H | Spherical | CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHA | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 818. | 103. | 127.33 | 13. | 11. | 2. | 197. | 753. | 0.0024 | 0.2412 |
| No.Dev.Units | -0.81 | -0.82 | -0.89 | -0.70 | -0.86 | 0.69 | -0.83 | -0.51 | 0.67 | -0.45 |
| Dipole vector (in atomic units): 34.29 7.40 -21.38 Mass Moments vector: 201.18 227.77 231.42
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