Table 3.

Interactions at the I⁵⁷F-IMPI–aureolysin interface.

Hydrogen bonds/salt bridges (<3.7 Å)	Hydrophobic interactions (<4 Å)
Y31O – K430Nζ 3.10/2.79 Å
E32Oε2 – D431N 2.75/2.82 Å
A36O – Q317Nε2 –/2.72 Å	E32 – K430
D38N – Q317Oε1 3.11/– Å	I54 – I326
D38N – Q317Nε2 –/3.48 Å	I55 – H356
Q47Nε2 - Q317Nε2 3.48/–	I55 – Y367
I55N – W325O 2.92/2.86 Å	F57 – F340
I55O – W325N 2.87/2.92 Å	F57 – L343
N56O – E353Oε1 2.67/2.83 Å	F57 – V349
N56O – E353Oε2 3.23/3.10 Å	F57 – H352
N56OT – H436Nε2 3.15/3.08 Å	F57 – M396
N56OT – Y367Oη 3.69/3.45 Å	F57 – L407
N56Nδ2 – A323O 2.82/3.00 Å	R58 – F340
F57N – N322Oδ1 3.09/3.25 Å	R58 – L407
F57N – A323O 3.27/3.14 Å
F57N – E353Oε2 2.90/3.01 Å
F57O – R408Nη1 2.84/2.75 Å
F57O – R408Nη2 2.83/2.76 Å
R58N – N322Oδ1 3.51/3.45 Å
R58Nε – N321O 2.85/2.47 Å
R58Nη1 – N321O 2.74/– Å
R58O – N322Nδ2 2.88/2.83 Å
N60Oδ1 – N322Nδ2 3.11/2.80 Å
K62Nζ – Q317Oε1 –/2.66 Å
Ionic interactions
N56OT – Zn999 2.11/2.08 Å
N56O – Zn999 2.61/2.38 Å

The first residue/atom belongs to IMPI, the second to aureolysin. The two values for each bond correspond to complexes between protomers A/B and C/D, respectively.