Table 3.

(A) Cβ-Cβ Interresidue distance restraints experimentally derived for the CRF-CRF1R complex, measured in the model of the CRF-CRF1R complex, and measured at homologous positions in the model of the Ucn1-CRF1R complex. (B) Cβ-Cβ Interresidue distance restrains experimentally derived for the Ucn1-CRF1R complex, measured in the model of the Ucn1-CRF1R complex, and measured at homologous positions in the model of the CRF-CRF1R complex.

DOI: http://dx.doi.org/10.7554/eLife.27711.016

A		Agonist CRF				Agonist Ucn1
No	CRF-CRF1R residue pair	Position in the ligand	Position in CRF1R	Cβ-Cβ [Å] constraint	Cβ-Cβ [Å] in the CRF model	Cβ-Cβ [Å] in the Ucn1 model
1	H13-F330	N-term	Helix VI	10.0	5.1	H12-F330	5.3
2	H13-F344	N-term	Helix VII	10.0	9.4	H12-F344	8.7
3	L15-Q173	N-term	Helix II	10.0	7.1	L14-Q173	6.5
4	E17-I345	N-term	Helix VII	10.0	9.2	T16-I345	6.0
5	V18-V120	C-term	Helix I	10.0	6.4	L17-V120	4.1
6	A31-E104	C-term	Hinge	10.0	8.6	A30-E104	12.3
7	S33-Y73	C-term	ECD	10.0	6.7	Q32-Y73	10.1
B		Agonist Ucn1				Agonist CRF
No	Ucn1-CRF1R Residue Pair	Position in the ligand	Position in CRF1R	Cβ-Cβ [Å] Constraint	Cβ-Cβ [Å] In the Ucn1 model	Cβ-Cβ [Å] In the CRF model
1	D8-Q273	N-term	Helix V	9.0	8.6	D9-Q273	9.0
2	D8-F330	N-term	Helix VI	9.0	4.5	D9-F330	4.2
3	H12-L329	N-term	Helix VI	9.0	8.0	H13-L329	8.5
4	H12-F330	N-term	Helix VI	9.0	5.3	H13-F330	5.1
5	H12-N333	N-term	Helix VI	9.0	6.9	H13-N333	6.1
6	H12-I345	N-term	Helix VII	9.0	8.4	H13-I345	9.3
7	H12-N348	N-term	Helix VII	9.0	6.5	H13-N348	6.8
8	H12-S349	N-term	Helix VII	9.0	9.4	H13-S349	10.7
9	L14-S349	N-term	Helix VII	9.0	9.0	L15-S349	9.6

Bold – residue pairs tested in both models.

Blue – residue pairs that satisfied distance restraints.

Red – residue pairs that did not exactly satisfiy distance restraints.