. 2014 Feb 4;136(8):3097–3107. doi: 10.1021/ja410860n

Table 1. Residues with Largest Magnitude pK_a Shifts between P-II and EI; Presented pK_a Values Have Been Averaged over Identical Residues in the Hexamer.

residue	P-II pK_a	EI pK_a	ΔpK_a	ΔΔG ((pH = 4; pH^ref = 7) (kcal/mol)
ASP 173	4.04	5.04	1.00	–1.04
GLU 153	4.96	5.69	0.73	–0.93
GLU 292	4.56	5.27	0.71	–0.85
ASP 290	3.88	4.74	0.86	–0.77
GLU 149	4.33	4.98	0.66	–0.72
—	—	—	—	—
GLU 344	5.39	4.59	–0.80	0.98
GLU 267	5.21	4.59	–0.61	0.74
ASP 198	4.77	4.03	–0.74	0.71
GLU 363	6.12	5.57	–0.55	0.69
ASP 231	5.22	4.68	–0.54	0.65

Table 1. Residues with Largest Magnitude pKa Shifts between P-II and EI; Presented pKa Values Have Been Averaged over Identical Residues in the Hexamer.