SKEMPI v2 PDB IDs that need to be manually cleaned (HETATMs): '5TAR', '2BTF', '1XD3'

These needed to be re-run with "proceed" having all 20 relax structures: '1Y33', '2J8U', '1FY8'

'3SE3', '3SE4', '2C5D' have more than one interface (e.g., AB_CD vs A_C)

Calculation processing

1AK4

LD483T,VD486P,HD487A,AD488M,ID491L,AD492P,MD496I variant not in the output -- M496 is kicked out of the PDB structure because of zero occupancy