Table 2.

Boundaries of the subdomains of NBD and the angles δ and τ describing the rotation of NBD-II with respect to NBD-I for two selected open (2KHO and 3C7N:B) and two closed (1KAX and 3C7N:A) experimental structures

Structure	Subdomain boundaries						δ [deg]		τ[deg]
	Ia	Ib	NBD-I (Ia+Ib)	IIa	IIb (IIa+IIb)	NBD-II	Cα	all atom	Cα	all atom
2KHO	I4–P37		I4–D182	K183-L227
	P112–D182	S38–A111	K363–T383	D311–R362	G228–E310	K183–R362	60.7	61.0	49.9	50.0
	K363–T383
3C7N:B	K3–P39		K3–K188	V189–L228
	P116–K188	S40–Y115	K361–K384	A307–L359	G229–N306	A180–N360	67.6	67.1	49.8	48.2
	K361–K384
1KAX	G4–P39		G4–K188	V189–L228
	P116–K188	S40–Y115	K361–S381	A307–L359	G229–N306	A180–N360	60.0	58.0	46.7	45.6
	K361–S381
3C7N:A	M1–V39		M1–I184	F185–R235
	I123–I184	V40–F122	L362–P385	V310–P361	D236–L309	F185–P361	54.6	53.1	36.3	38.3
	L362–P385