# caplacizumab
path: 7eow.cif
include: 
  - chain: 
      id: B

design:
  - chain:
      id: B
      res_index: 26..34,52..59,98..118

structure_groups:
  - group:
      id: B
      visibility: 2
  - group:
      id: B
      visibility: 0
      res_index: 26..34,52..59,98..118

exclude: 
  - chain:
      id: B
      res_index: 26..28 # take out 3
  - chain:
      id: B
      res_index: 52..54 # take out 3
  - chain:
      id: B
      res_index: 98..104 # take out seven

design_insertions:
  - insertion:
      id: B
      res_index: 26 # The res_index'th residue will be a designed one (starting to count from 1)
      num_residues: 1..5
  - insertion:
      id: B
      res_index: 52 # The res_index'th residue will be a designed one (starting to count from 1)
      num_residues: 1..5
  - insertion:
      id: B
      res_index: 98 # The res_index'th residue will be a designed one (starting to count from 1)
      num_residues: 1..14

# reindex the residue index which is used in the positional encoding
reset_res_index:
  - chain:
      id: B