Table 2 Calculated pKa with either ProPka or PyPka, and percentage burial of surface cysteine residues C41, C108 C110 on chain X and A
Chain - Residue | ProPka-calculated pKa | % surface burial | PyPka-calculated pKa |
|---|---|---|---|
A - C41 | 11.36 | 66 | 10.54 |
A - C108 | 10.44 | 40 | 10.59 |
A - C110 | 9.06 | 0 | 9.55 |
X - C41 | 11.27 | 63 | 10.69 |
X - C108 | 10.83 | 78 | 10.23 |
X - C110 | 9.45 | 22 | 9.41 |