Table 4A-Oxy Hb Chain Bond Lengths: 1a4f a-chain

Table 4A

Oxy Hb Chain Bond Lengths: 1a4f a-chain

Bond	total #	average	stddev	min	at	Max	At
C-N	136	1.32	0.016	1.28	THR 134	1.36	THR 39
C-N (PRO)	4	1.32	0.013	1.3	PRO 114	1.34	PRO 44
C-O	141	1.24	0.016	1.2	ALA 69	1.28	ARG 92
CA-C	133	1.52	0.017	1.48	LEU 29	1.56	GLU 23
CA-C (GLY)	8	1.51	0.009	1.5	GLY 133	1.53	GLY 59
CA-CB	86	1.53	0.022	1.47	ASP 75	1.59	LEU 117
CA-CB (ALA)	19	1.53	0.016	1.51	ALA 131	1.57	ALA 110
CA-CB (I,T,V)	28	1.55	0.025	1.52	THR 28	1.6	THR 39
N-CA	129	1.47	0.019	1.4	VAL 107	1.52	LYS 139
N-CA (GLY)	8	1.47	0.021	1.44	GLY 51	1.5	GLY 25
N-CA (PRO)	4	1.45	0.013	1.44	PRO 37	1.47	PRO 44

Table 4B

Oxy Hb Chain Bond Lengths: 1a4f β-chain

Bond	total #	average	stddev	min	at	max	at
C-N	140	1.32	0.015	1.28	ALA 119	1.36	ILE 54
C-N (PRO)	5	1.32	0.009	1.31	PRO 58	1.33	PRO 51
C-O	146	1.24	0.017	1.19	ASP 73	1.28	GLN 87
CA-C	138	1.52	0.018	1.46	LEU 28	1.56	CYS 126
CA-C (GLY)	8	1.51	0.017	1.48	GLY 46	1.53	GLY 107
CA-CB	96	1.53	0.023	1.47	TRP 3	1.59	HIS 117
CA-CB (ALA)	17	1.52	0.019	1.49	ALA 138	1.55	ALA 62
CA-CB (I,T,V)	25	1.56	0.031	1.51	VAL 20	1.61	VAL 18
N-CA	133	1.47	0.019	1.41	ALA 128	1.51	THR 123
N-CA (GLY)	8	1.46	0.012	1.44	GLY 72	1.48	GLY 64
N-CA (PRO)	5	1.46	0.01	1.44	PRO 36	1.47	PRO 100

Fold deviation from the means are color coded as multiples of the standard deviation according to the following scale:

<0.5

0.5

1

1.5

2

2.5

3

3.5

4

4.5

5

>5.0

Adapted from data available at http://www.rcsb.org/pdb/cgi/explore.cgi?job=geometry;pdbId=1A4F;page=;pid=264201048789105&opt=bonddist