TABLE 2.

Buried water molecules in staphylococcal nuclease variants

Label	Occurrence*	〈AW〉 (Å2)†	〈Brel〉‡	〈NHB〉§	H-bond partners‖
Wat1	C1–C6	0.0	0.7	2.8	D77.N; L89.O
Wat2	C1–C6	0.0	0.8	3.0	V104.O; A109.O; W140.Nɛ1
Wat3	C1–C6	0.0	1.0	3.5	G20.N; P42.O; G55.O
Wat4	C5	0.0	0.8	3.0	G20.O; T22.O; E66.Oɛ2
Wat5	C5, C6	0.0	0.9	4.0	D19.O; E66.Oɛ1; Wat9
Wat6	C1–C6	1.0	0.9	3.3	Y115.N; N118.O; Wat10
Wat7	C1–C6	1.0	0.8	3.0	E73.Oɛ1; G96.N
Wat8	C1–C6	2.6	0.9	3.5	H8.O; E10.Oɛ2; F76.N
Wat9**	C1, C2, C4–C6	2.5 (3.5)	1.2 (0.9)	2.4 (2.5)	S59.O; (Wat5)
Wat10	C1–C6	∼10	0.9	2.5	Y113.O; Wat6

^*Refers to the crystal structures in Table 1.

^†Solvent-accessible area of buried water molecule, averaged over the six crystal structures in Table 1.

^‡B-factor of buried water molecule, divided by median B-factor for protein atoms (Table 1) and averaged over the six crystal structures.

^§Number of O or N atoms within 3.2 Å and belonging to protein or other buried water molecules, averaged over the six crystal structures.

^‖Consensus hydrogen-bond partners (<3.2 Å), present in all six crystal structures.

^**Entries within parentheses refer to crystal structures C5 and C6 only.