Table 3.

Calculated heme out-of-plane distortions from normal coordinate structural decomposition (NSD) analysis for the O₂ complex of Tt H-NOX and other heme proteins.

PDB	Protein	Δoopa	B2ub	B1u	A2u	Eg(x)	Eg(y)	A1u	Ref.
1U55	Tt WT A	1.59	−1.07	−1.11	−0.1	−0.10	0.24	−0.03	(14)
1U55	Tt WT B	1.11	−0.65	−0.79	0.32	−0.24	0.02	−0.03	(14)
1U4H	Tt WT A	1.59	−1.09	−1.09	−0.02	−0.30	0.11	−0.06	(14)
1U4H	Tt WT B	1.60	−1.00	−1.20	0.10	−0.15	0.14	−0.06	(14)
Heme A	Tt I5L	1.28	−0.93	0.73	−0.11	−0.18	0.40	−0.02	c
Heme B	Tt I5L	1.23	−0.81	−0.81	0.13	−0.31	0.14	−0.02	c
3EEE	Tt P115A A	0.90	−0.40	−0.77	0.04	−0.17	0.02	0.00	(20)
3EEE	Tt P115A B	0.82	−0.50	−0.61	0.03	−0.11	0.03	0.01	(20)
3EEE	Tt P115A C	0.54	−0.04	−0.49	−0.09	−0.16	−0.08	0.01	(20)
3EEE	Tt P115A D	0.62	0.07	−0.52	−0.03	−0.25	−0.18	0.01	(20)
Heme A	Tt I5L/P115A	0.85	−0.53	0.05	−0.16	−0.05	0.52	−0.04	c
Heme B	Tt I5L/P115A	0.74	−0.63	0.17	−0.02	0.01	0.32	−0.08	c
1DP6	Bj FixLd	0.60	0.44	−0.32	0.18	0.01	0.11	−0.03	(26)
1A6M	Sw Mbe	0.36	0.19	0.01	0.22	−0.05	0.19	0.07	(28)
1ASH	As Hbf	0.47	−0.11	0.41	0.08	−0.11	0.07	−0.01	(29)
1IDR	tHb Ag	0.58	−0.13	0.33	0.28	−0.25	−0.19	0.04	(27)
1IDR	tHb Bg	0.55	0.15	0.45	0.01	0.05	−0.21	−0.04	(27)

^aTotal out-of-plane displacement (Å) from the complete basis set

^bReported displacements for each symmetry type are from the minimal basis set

^cunpublished experiments, Olea et al.

^dO₂-sensing FixL domain of Bradyrhizobium japonicum

^eSperm whale myoglobin

^fAscaris suum hemoglobin domain I

^gTruncated hemoglobin N from Mycobacterium tuberculosis