From: The multiple roles of histidine in protein interactions
 | B3LYP | CCSD | ||
---|---|---|---|---|
aHis | Energy b | Length c | Energy b | Length c |
Imid-Phe | −0.093 | 5.754 | −3.084 | 3.822 |
Imid-Tyr | −0.098 | 5.331 | −3.463 | 3.714 |
Imid-Trp | −0.535 | 4.938 | −4.035 | 3.740 |
d His-Arg+ | −2.402 | 3.914 | −5.043 | 3.522 |
a His+ | Â | Â | Â | Â |
Imid+-Phe | −1.696 | 4.224 | −3.683 | 3.633 |
Imid+-Tyr | −1.733 | 4.082 | −4.143 | 3.564 |
Imid+-Trp | −6.514 | 3.798 | −8.425 | 3.478 |