Table 1.
Positively selected sites across species under the branch site (CodeML) and mapped onto the PADI2 human structure
| Domain | Alignment position | Sequence position (human) | Secondary structure | Flanking residues | MVORFFIP scores (0–1) | Accessibility |
|---|---|---|---|---|---|---|
| PADI_N | 70 | E16 | Beta strand | RVEAV | 0.8 | Exposed |
| PADI_N | 79 | L25 | Beta strand | TYLWT | 0.0 | Buried |
| PADI_N | 107 | V53 | Beta strand | EVVRD | 0.5 | Exposed |
| PADI_N | 114 | E60 | Loop | AEEVA | 0.7 | Exposed |
| PADI_M | 190 | K136 | Loop | NPKKA | 0.6 | Exposed |
| PADI_M | 216 | L162 | Loop | PWLPK | 0.7 | Exposed |
| PADI_M | 260 | V201 | Beta strand | EIVLY | 0.2 | Exposed |
| PADI_M | 304 | S245 | Loop | GGSAE | 0.6 | Exposed |
| PADI_M | 308 | L249 | Beta strand | ELLFF | 0.8 | Exposed |
| PADI_M | 322 | S263 | Loop | GFSGL | 0.7 | Exposed |
| PADI_M | 326 | S267 | Beta strand | LVSIH | 0.7 | Exposed |
| PADI_M | 350 | T289 | Beta strand | TDTVI | 0.6 | Exposed |
| PADI_C | 401 | L342 | Loop | QYLNR | 0.7 | Partially buried |
| PADI_C | 439 | F380 | Loop | KDFPV | 0.8 | Exposed |
| PADI_C | 460 | S401 | Loop | FESVT | 0.8 | Exposed |
| PADI_C | 511 | K452 | Helix | FLKAQ | 0.7 | Exposed |
| PADI_C | 567 | D507 | Helix capping | QKDGH | 0.5 | Exposed |
| PADI_C | 596 | S536 | Helix | NESLV | 0.7 | Exposed |
| PADI_C | 598 | V538 | Helix | SLVQE | 0.8 | Partially buried |
| PADI_C | 723 | M663 | Helix capping | WHMVP | 0.7 | Partially buried |
The position of the amino acid in the domain, MSA, and PDB file (Supplementary material File S2) are shown in the domain, sequence position, and PDB number, respectively. The flanking residues are shown with the given positively selected amino acid depicted in bold. The type of secondary structure and solvent accessibility (i.e., exposure) is shown in the secondary structure and accessibility column. Finally, the MVORFFIP scores (see STAR Methods) are also indicated.