Provide input for LACE to zero ASA of residues/atoms on a
user-defined list):
Notes:
LACE facilitates designation of antibody-inaccessible residues and/or atoms
thereof on user-defined lists (e.g., based on literature and/or direct
inspection of models).
LACE assigns a serial number to each polypeptide according to order of
appearance in the input data, which may differ from the alphabetical
order of PDB chain ID (A, B, C, etc.) assignments.
To list one or more entire residues, use a series of semicolon-separated
entries. Each entry must begin with a "word" of the form "X:" where X is
the serial number of the polypeptide chain (1 for a monomeric protein or
the 1st chain, 2 for the 2nd chain, etc.). The remainder of each entry must
be a comma-separated series of individual residue numbers or ranges thereof.
For example, the entry "2: 3, 5, 7-9" denotes residues 3, 5 and 7 through 9
of the 2nd polypeptide chain.
To denote individual atoms rather than whole residues, the above format
is extended by including a parentheses-enclosed list of PDB-style atom
names after the respective residue number, with individual atom names on
the list separated by the plus sign ("+"). For example, the entry
"2: 3(N+CA), 5(C+O)" denotes the backbone nitrogen and alpha-carbon atoms
of residue 3 as well as the backbone carbonyl carbon and oxygen atoms of
residue 5 of the 2nd polypeptide chain.
Combinations of residue- and atom-level notation are acceptable (e.g.,
"2: 3, 5(C+O), 7-9").