Table 4 List of atoms that could perform interactions and distance cutoffs. Adapted from [28]

Hydrogen bond

<  3.50 Å

• ARG: NE, NH1, NH2

• ASN: ND2, OD1

• ASP: OD1, OD2

• GLN: NE2, OE1

• LYS: NZ

• GLU: OE1, OE2

• HIS: ND1, NE2

• SER: OG

• THR: OG1

• TRP: NE1

• TYR: OH

Ionic

<  6.00 Å

• ARG: CZ

• ASP: CG, OD1, OD2

• GLU: CD

• HIS: CD2, CE1, CG

Disulfide bond

<  2.08 Å

• CYS: S