Table 2 The interaction energies and bond lengths of three aromatic Hp-π interaction pairs ((CH 3 ) 2 NH–C 6 H 6 , CH 3 OH–C 5 H 5 N, and NMA–C 6 H 6 )
From: Theoretical study on the polar hydrogen-π (Hp-π) interactions between protein side chains
(CH3)2NH–C6H6 | CH3OH–C5H5N | NMA–C6H6 | |
|---|---|---|---|
Position | Center | N | Center |
a Energy | -18.1457 | -14.8525 | -22.2329 |
b Bond | 2.4100 | 2.4500 | 2.5850 |