mutations

A mutations directive is used to specify point mutations, which are changes in a single amino acid residue. The syntax for specifying a mutation is as follows:

<chain>:<oldresi>,<seqnum>,<newresi>

<chain> is the chain ID, <oldresi> is the old residue name, <seqnum> is the residue number, and <newresi> is the new residue name. You can use either 1-byte or 3-byte residue names. For example, both A:ALA,12,GLU and A:A,12,E would change the alanine at position 12 in chain A to glutamic acid.