"""
Generic properties of amino acids required for the binding affinity
prediction methods.
"""

aa_character_ic: dict[str, str] = {
    "ALA": "A",
    "CYS": "A",  # ?
    "GLU": "C",
    "ASP": "C",
    "GLY": "A",
    "PHE": "A",
    "ILE": "A",
    "HIS": "C",
    "LYS": "C",
    "MET": "A",
    "LEU": "A",
    "ASN": "P",
    "GLN": "P",
    "PRO": "A",
    "SER": "P",
    "ARG": "C",
    "THR": "P",
    "TRP": "A",
    "VAL": "A",
    "TYR": "A",
}

aa_character_protorp: dict[str, str] = {
    "ALA": "A",
    "CYS": "P",
    "GLU": "C",
    "ASP": "C",
    "GLY": "A",
    "PHE": "A",
    "ILE": "A",
    "HIS": "P",
    "LYS": "C",
    "MET": "A",
    "LEU": "A",
    "ASN": "P",
    "GLN": "P",
    "PRO": "A",
    "SER": "P",
    "ARG": "C",
    "THR": "P",
    "TRP": "P",
    "VAL": "A",
    "TYR": "P",
}

# Scaling factors for relative ASA
# Calculated using extended ALA-X-ALA peptides
# Taken from NACCESS
rel_asa: dict[str, dict[str, float]] = {
    "total": {
        "ALA": 107.95,
        "CYS": 134.28,
        "ASP": 140.39,
        "GLU": 172.25,
        "PHE": 199.48,
        "GLY": 80.10,
        "HIS": 182.88,
        "ILE": 175.12,
        "LYS": 200.81,
        "LEU": 178.63,
        "MET": 194.15,
        "ASN": 143.94,
        "PRO": 136.13,
        "GLN": 178.50,
        "ARG": 238.76,
        "SER": 116.50,
        "THR": 139.27,
        "VAL": 151.44,
        "TRP": 249.36,
        "TYR": 212.76,
    },
    "bb": {
        "ALA": 38.54,
        "CYS": 37.53,
        "ASP": 37.70,
        "GLU": 37.51,
        "PHE": 35.37,
        "GLY": 47.77,
        "HIS": 35.80,
        "ILE": 37.16,
        "LYS": 37.51,
        "LEU": 37.51,
        "MET": 37.51,
        "ASN": 37.70,
        "PRO": 16.23,
        "GLN": 37.51,
        "ARG": 37.51,
        "SER": 38.40,
        "THR": 37.57,
        "VAL": 37.16,
        "TRP": 38.10,
        "TYR": 35.38,
    },
    "sc": {
        "ALA": 69.41,
        "CYS": 96.75,
        "ASP": 102.69,
        "GLU": 134.74,
        "PHE": 164.11,
        "GLY": 32.33,
        "HIS": 147.08,
        "ILE": 137.96,
        "LYS": 163.30,
        "LEU": 141.12,
        "MET": 156.64,
        "ASN": 106.24,
        "PRO": 119.90,
        "GLN": 140.99,
        "ARG": 201.25,
        "SER": 78.11,
        "THR": 101.70,
        "VAL": 114.28,
        "TRP": 211.26,
        "TYR": 177.38,
    },
}