Table 333.

Structural statistics for representative ensembles of 20 NMR-derived structures of the GpAtm dimer in the DPC micelles and DMPC/DHPC bicelles

NMR structure	micelle	bicelles
PDB code	2kpe	2kpf
NMR data for structure calculation
Total unambiguous NOE restraints	484	520
intra-residue	234	278
inter-residue	216	214
sequential (|i-j|=1)	128	128
medium-range (1<|i-j|<4)	88	86
long-range (|i-j|>4)	0	0
inter-monomeric	34	28
Hydrogen bond restraints (upper/lower) intra-monomeric inter-monomeric	108/108 0/0	108/108 0/0
Total torsion angle restraints	156	156
backbone φ	56	56
backbone ψ	56	56
side chain χ1	44	44
Structure calculation statistics
CYANA target function (Å2)	0.75±0.15	1.02±0.16
Restraint violations
distance (>0.2 Å)	0	0
distance (>0.1 Å)	6	5
dihedral (>5o)	0	0
Average pairwise RMSD (Å)
ТМ α-helix (72-95)2
backbone atoms	0.39±0.17	0.42±0.13
all heavy atoms	0.94±0.18	1.07±0.15
generalized RMSD
backbone atoms	0.72±0.45
all heavy atoms	1.25±0.37
backbone atoms of mean structures	1.03
Ramachandran analysis % residues (70-98)2
in most favored regions	92.7	90.4
in additional allowed regions	7.7	6.4
in generously allowed regions	1.4†	0.2†
in disallowed regions	0.4†	0.7†
Helix-helix packing
helix-helix contact surface (Å2)	370±20	380±20
angleθ(deg.) between the ТМ helix axes	-40±2	-40±2
distanced(Å) between the ТМ helix axes	6.7±0.4	6.4±0.4

Table note:

* Residues from unfolded and flexible regions.