IAD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OD2	CG	sing	1.34Å	1.34Å
OD2	HD2	sing	0.97Å	0.95Å
CG	OD1	doub	1.21Å	1.31Å
CG	CB	sing	1.51Å	1.54Å
CB	CA	sing	1.53Å	1.57Å
CB	HB1	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CA	C	sing	1.51Å	1.53Å
CA	N	sing	1.46Å	1.47Å
CA	HA	sing	1.09Å	1.10Å
C	O	doub	1.34Å	1.35Å
C	O1	sing	1.21Å	1.27Å
O1	HO1	sing	3.07Å	0.95Å
N	C11	sing	1.35Å	1.40Å
N	H	sing	0.97Å	1.00Å
C11	O11	doub	1.21Å	1.22Å
C11	C10	sing	1.51Å	1.53Å
C10	C3	sing	1.51Å	1.53Å
C10	H1	sing	1.09Å	1.10Å
C10	H2A	sing	1.09Å	1.10Å
C3	C2	doub	1.34Å	1.41Å	Aromatic
C3	C9	sing	1.47Å	1.41Å	Aromatic
C2	N1	sing	1.37Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
N1	C8	sing	1.38Å	1.39Å	Aromatic
N1	HN1	sing	0.97Å	1.00Å
C9	C4	doub	1.40Å	1.39Å	Aromatic
C9	C8	sing	1.41Å	1.40Å	Aromatic
C4	C5	sing	1.37Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C8	C7	doub	1.39Å	1.40Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C6	C5	doub	1.39Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CG	OD2	HD2	109.5°	119.9°
OD2	CG	OD1	122.1°	120.0°
OD2	CG	CB	118.6°	120.0°
OD1	CG	CB	119.3°	120.0°
CG	CB	CA	108.5°	109.5°
CG	CB	HB1	110.0°	109.5°
CG	CB	HB2	109.8°	109.5°
CA	CB	HB1	110.0°	109.4°
CA	CB	HB2	109.8°	109.5°
CB	CA	C	111.9°	109.5°
CB	CA	N	109.4°	109.5°
CB	CA	HA	106.9°	109.5°
HB1	CB	HB2	108.7°	109.5°
C	CA	N	106.3°	109.5°
C	CA	HA	110.0°	109.5°
CA	C	O	119.1°	120.0°
CA	C	O1	118.9°	120.0°
N	CA	HA	112.5°	109.5°
CA	N	C11	122.6°	120.0°
CA	N	H	118.7°	120.0°
O	C	O1	121.9°	120.0°
C	O1	HO1	109.5°	85.8°
C11	N	H	118.7°	120.0°
N	C11	O11	121.7°	120.0°
N	C11	C10	116.5°	120.0°
O11	C11	C10	121.7°	120.0°
C11	C10	C3	109.1°	109.4°
C11	C10	H1	109.6°	109.5°
C11	C10	H2A	109.6°	109.4°
C3	C10	H1	109.7°	109.5°
C3	C10	H2A	109.6°	109.5°
C10	C3	C2	126.0°	126.5°
C10	C3	C9	125.2°	126.5°
H1	C10	H2A	109.2°	109.5°
C2	C3	C9	108.7°	107.0°
C3	C2	N1	106.5°	109.9°
C3	C2	H2	126.8°	125.0°
C3	C9	C4	132.2°	134.0°
C3	C9	C8	106.8°	106.0°
N1	C2	H2	126.8°	125.0°
C2	N1	C8	109.4°	109.8°
C2	N1	HN1	125.3°	125.1°
C8	N1	HN1	125.3°	125.1°
N1	C8	C9	108.6°	107.2°
N1	C8	C7	131.6°	133.5°
C4	C9	C8	121.0°	120.0°
C9	C4	C5	117.9°	119.7°
C9	C4	H4	121.0°	120.2°
C9	C8	C7	119.8°	119.3°
C5	C4	H4	121.0°	120.1°
C4	C5	C6	121.8°	120.6°
C4	C5	H5	119.1°	119.7°
C8	C7	C6	119.6°	119.8°
C8	C7	H7	120.2°	120.1°
C6	C7	H7	120.2°	120.1°
C7	C6	C5	119.8°	120.6°
C7	C6	H6	120.1°	119.7°
C5	C6	H6	120.1°	119.7°
C6	C5	H5	119.1°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OD2	CG	OD1	CB	177.7°	180.0°
OD2	CG	CB	CA	91.7°	180.0°
OD2	CG	CB	HB1	28.7°	60.0°
OD2	CG	CB	HB2	148.3°	60.0°
HD2	OD2	CG	OD1	0.0°	0.0°
HD2	OD2	CG	CB	177.7°	180.0°
OD1	CG	CB	CA	90.5°	0.0°
OD1	CG	CB	HB1	149.1°	120.0°
OD1	CG	CB	HB2	29.5°	120.0°
CG	CB	CA	HB1	120.4°	120.0°
CG	CB	CA	HB2	120.0°	120.0°
CG	CB	HB1	HB2	120.3°	120.0°
CG	CB	CA	C	27.3°	175.0°
CG	CB	CA	N	144.8°	65.0°
CG	CB	CA	HA	93.2°	55.0°
CA	CB	HB1	HB2	120.3°	120.0°
CB	CA	C	N	119.3°	120.0°
CB	CA	C	HA	118.7°	120.0°
CB	CA	N	HA	118.6°	120.0°
CB	CA	C	O	89.6°	60.0°
CB	CA	C	O1	94.1°	120.0°
CB	CA	N	C11	59.5°	155.0°
CB	CA	N	H	120.5°	25.1°
HB1	CB	CA	C	147.6°	55.0°
HB1	CB	CA	N	94.9°	175.0°
HB1	CB	CA	HA	27.2°	65.0°
HB2	CB	CA	C	92.7°	65.0°
HB2	CB	CA	N	24.8°	55.0°
HB2	CB	CA	HA	146.8°	175.0°
C	CA	N	HA	120.4°	120.0°
CA	C	O	O1	176.2°	180.0°
CA	C	O1	HO1	176.2°	31.4°
C	CA	N	C11	179.5°	84.9°
C	CA	N	H	0.5°	94.9°
N	CA	C	O	29.7°	180.0°
N	CA	C	O1	146.6°	0.0°
CA	N	C11	H	180.0°	179.9°
CA	N	C11	O11	3.7°	0.1°
CA	N	C11	C10	179.6°	180.0°
HA	CA	C	O	151.8°	60.0°
HA	CA	C	O1	24.6°	120.0°
HA	CA	N	C11	59.1°	35.0°
HA	CA	N	H	120.9°	145.1°
O	C	O1	HO1	0.0°	148.7°
N	C11	O11	C10	176.6°	180.0°
N	C11	C10	C3	64.0°	180.0°
N	C11	C10	H1	175.8°	60.0°
N	C11	C10	H2A	56.0°	60.0°
H	N	C11	O11	176.3°	180.0°
H	N	C11	C10	0.4°	0.1°
O11	C11	C10	C3	112.7°	0.0°
O11	C11	C10	H1	7.4°	120.0°
O11	C11	C10	H2A	127.3°	120.0°
C11	C10	C3	H1	120.1°	120.0°
C11	C10	C3	H2A	120.0°	120.0°
C11	C10	H1	H2A	120.1°	120.0°
C11	C10	C3	C2	126.6°	95.0°
C11	C10	C3	C9	57.9°	84.7°
C3	C10	H1	H2A	120.1°	120.0°
C10	C3	C2	C9	176.2°	179.8°
C10	C3	C2	N1	178.8°	180.0°
C10	C3	C2	H2	1.2°	0.1°
C10	C3	C9	C4	0.5°	0.7°
C10	C3	C9	C8	179.1°	179.8°
H1	C10	C3	C2	113.3°	145.0°
H1	C10	C3	C9	62.3°	35.3°
H2A	C10	C3	C2	6.6°	24.9°
H2A	C10	C3	C9	177.9°	155.3°
C3	C2	N1	H2	180.0°	179.9°
C3	C2	N1	C8	1.4°	0.0°
C3	C2	N1	HN1	178.6°	180.0°
C2	C3	C9	C4	175.7°	179.5°
C2	C3	C9	C8	2.9°	0.4°
C9	C3	C2	N1	2.6°	0.2°
C9	C3	C2	H2	177.4°	179.7°
C3	C9	C8	N1	2.1°	0.4°
C3	C9	C4	C8	178.4°	179.0°
C3	C9	C4	C5	179.7°	179.7°
C3	C9	C4	H4	0.3°	0.7°
C3	C9	C8	C7	179.9°	179.9°
C2	N1	C8	HN1	180.0°	180.0°
C2	N1	C8	C9	0.5°	0.3°
C2	N1	C8	C7	178.0°	180.0°
H2	C2	N1	C8	178.7°	180.0°
H2	C2	N1	HN1	1.3°	0.1°
N1	C8	C9	C4	176.7°	179.6°
N1	C8	C9	C7	177.9°	179.7°
N1	C8	C7	C6	177.2°	180.0°
N1	C8	C7	H7	2.8°	0.1°
HN1	N1	C8	C9	179.5°	179.7°
HN1	N1	C8	C7	2.0°	0.1°
C9	C4	C5	H4	180.0°	179.7°
C4	C9	C8	C7	1.2°	0.6°
C9	C4	C5	C6	1.6°	0.3°
C9	C4	C5	H5	178.4°	179.7°
C8	C9	C4	C5	1.9°	0.6°
C8	C9	C4	H4	178.1°	179.7°
C9	C8	C7	C6	0.1°	0.3°
C9	C8	C7	H7	179.9°	179.7°
C4	C5	C6	C7	0.6°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H6	179.4°	179.9°
H4	C4	C5	C6	178.3°	180.0°
H4	C4	C5	H5	1.6°	0.0°
C8	C7	C6	H7	180.0°	180.0°
C8	C7	C6	C5	0.2°	0.0°
C8	C7	C6	H6	179.8°	179.9°
C7	C6	C5	H6	180.0°	179.9°
C7	C6	C5	H5	179.4°	180.0°
H7	C7	C6	C5	179.8°	180.0°
H7	C7	C6	H6	0.2°	0.1°
H6	C6	C5	H5	0.6°	0.1°

Definition date:	2001-10-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1K3U