Table 1.

Saupe alignment tensor components for HAfp23 RDC datasets in different bicelle formulations aligned by stretched acrylamide gel and K-d (GpG) ^a,^b

Component/Tensor	A	B	C	D	E	F	G	H	I
Szz	11.0	17.6	11.4	13.3	12.0	−5.3	−11.8	−12.7	−12.1
$(1/\sqrt{3})(S_{xx}-S_{yy})$	−15.9	−13.3	−1.6	−13.9	−2.2	19.2	19.5	14.6	21.5
$(2/\sqrt{3})S_{xy}$	9.1	4.1	2.0	3.6	2.2	−6.1	−0.5	1.2	−9.9
$(2/\sqrt{3})S_{xz}$	−27.8	−26.2	−13.5	−23.6	−16.9	28.2	20.5	19.1	34.4
$(2/\sqrt{3})S_{yz}$	19.0	19.1	11.8	14.8	12.8	−7.2	−10.9	−9.7	−14.6

^a

The samples had the following compositions:

1. Neutral bicelles in SAG: 0.6 mM ²H,¹³C,¹⁵N-labeled HAfp23, 25 mM²H-labeled Tris pH 7.3, 27 mM DMPC, 100 mM DOHPC, 16 mM DPC, 7% D₂O in SAG (see Materials and Methods for details on the acrylamide gel formulation for this and other SAG samples).
2. Bicelles + DMPS in SAG: 0.7 mM ²H,¹³C,¹⁵N-labeled HAfp23, 25mM²H-labeled Tris pH 7.3, 46 mM DMPC, 160 mM DOHPC, 8.1 mM DMPS, 10 mM DPC, 7% D₂O in SAG.
3. Bicelles + DMPS + DHPS in SAG: 0.7 mM ²H,¹³C,¹⁵N-labeled HAfp23, 25 mM²H-labeled Tris pH 7.3, 46 mM DMPC, 160 mM DOHPC, 8.1 mM DMPS, 46 mM DHPS, 10 mM DPC, 7% D₂O in SAG.
4. Bicelles + Et-DMPC in SAG: 0.6 mM ²H,¹³C,¹⁵N-labeled HAfp23, 25 mM²H-labeled Tris pH 7.4, 42 mM DMPC, 150 mM DOHPC, 10 mM Et-DMPC, 10 mM DPC, 7% D₂O in SAG.
5. Medium-sized bicelles in SAG: 0.7 mM ²H,¹³C,¹⁵N-labeled HAfp23, 25 mM ²H-labeled Tris pH 7.0, 73 mM DMPC, 144 mM DOHPC, 16 mM DPC, 7% D₂O in SAG.
6. Neutral bicelles in d (GpG): 0.3 mM ¹³C,¹⁵N-labeled HAfp23, 25 mM ²H-labeled Tris pH 7.3, 22 mM DMPC, 65 mM DOHPC, 10 mM DPC, 15 mg/ml d (GpG), 60 mM KCl, 7% D₂O.
7. Bicelles + DMPS in d (GpG): 0.3 mM ¹³C,¹⁵N-labeled HAfp23, 25 mM ²H-labeled Tris pH 7.4, 22 mM DMPC, 85 mM DOHPC, 6 mM DMPS, 10 mM DPC, 15 mg/ml d (GpG), 60 mM KCl, 7% D₂O.
8. Bicelles + DMPS + DHPS in d (GpG): 0.3 mM ¹³C,¹⁵N-labeled HAfp23, 25 mM ²H-labeled Tris pH 7.4, 22 mM DMPC, 85 mM DOHPC, 6 mM DMPS, 27 mM DHPS, 10 mM DPC, 15 mg/ml d (GpG), 60 mM KCl, 7% D₂O.
9. Bicelles + Et-DMPC in d (GpG): 0.3 mM ¹³C,¹⁵N-labeled HAfp23, 25 mM²H-labeled Tris pH 7.3, 25 mM DMPC, 82 mM DOHPC, 6 mM Et-DMPC, 10 mM DPC, 15 mg/ml d (GpG), 60 mM KCl, 7% D₂O.

^bTensor components are in units of Hz. Elements S_ij of the 3×3 Cartesian alignment tensors were calculated from an SVD fit of the RDCs in Table S1 to the HAfp23 structure with PDB accession code 2KXA (Lorieau et al. 2010). They were then used to compute the appropriate 5-component representation of the alignment tensors shown here (Tolman 2002).