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List of atoms that could perform interactions and distance cutoffs. Adapted from [28]
| Interaction | Distance | Atoms |
|---|---|---|
| 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 |
