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Interaction energies for four peptides in different organizations
| System | 4PS | T-pore | U-pore | |||
| Schematic |  |
 |
 |
|||
| LJ | electrostatic | LJ | electrostatic | LJ | electrostatic | |
| Total | −10,400.6 ± 28.0 (0) | −42.4 ± 0.4 (0) | −10,811.8 ± 124.4 (−411.2) | −43.2 ± 1.6 (−0.8) | −10,707.0 ± 64.4 (−306.4) | −42.8 ± 1.2 (−0.4) |
| −10,443.0 ± 28.4 (0) | −10,855.0 ± 126.0 (−412.0) | −10,749.8 ± 65.6 (−306.8) | ||||
The energies are in kJ/mol. The numbers in parentheses are the energy differences with respect to the case of 4PS.
