AH0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.54Å	1.57Å
C1	O5	sing	1.45Å	1.43Å
C1	O6	sing	1.44Å	1.44Å
C1	H1	sing	1.09Å	1.10Å
C2	N2	sing	1.47Å	1.46Å
C2	C3	sing	1.53Å	1.57Å
C2	H2	sing	1.09Å	1.10Å
N2	C7	sing	1.35Å	1.33Å
N2	HN2	sing	0.97Å	1.00Å
C7	O7	doub	1.21Å	1.24Å
C7	C8	sing	1.51Å	1.54Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.55Å
C3	H3	sing	1.09Å	1.10Å
O3	CA	sing	1.43Å	1.43Å
C4	O4	sing	1.43Å	1.43Å
C4	C5	sing	1.54Å	1.55Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.45Å	1.43Å
C5	C6	sing	1.55Å	1.51Å
C5	H5	sing	1.09Å	1.10Å
C6	O6	sing	1.44Å	1.44Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
CA	CB	sing	1.53Å	1.53Å
CA	C	sing	1.51Å	1.53Å
CA	HA	sing	1.09Å	1.10Å
CB	HB1	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.23Å
C	OXT	sing	1.34Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	111.2°	107.5°
C2	C1	O6	110.8°	108.2°
C2	C1	H1	105.9°	111.4°
C1	C2	N2	108.7°	109.6°
C1	C2	C3	110.4°	108.9°
C1	C2	H2	109.5°	109.6°
O5	C1	O6	104.2°	105.8°
O5	C1	H1	112.3°	111.4°
C1	O5	C5	100.0°	102.7°
O6	C1	H1	112.7°	112.2°
C1	O6	C6	107.7°	107.0°
N2	C2	C3	109.8°	109.5°
N2	C2	H2	110.1°	109.6°
C2	N2	C7	130.5°	120.0°
C2	N2	HN2	114.8°	120.1°
C3	C2	H2	108.3°	109.7°
C2	C3	O3	111.7°	109.5°
C2	C3	C4	112.3°	109.3°
C2	C3	H3	105.4°	109.5°
C7	N2	HN2	114.8°	119.9°
N2	C7	O7	123.3°	120.0°
N2	C7	C8	114.6°	120.0°
O7	C7	C8	122.1°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.5°	109.4°
C7	C8	H83	109.5°	109.5°
H81	C8	H82	109.5°	109.5°
H81	C8	H83	109.5°	109.5°
H82	C8	H83	109.5°	109.4°
O3	C3	C4	107.7°	109.5°
O3	C3	H3	110.2°	109.5°
C3	O3	CA	114.8°	114.0°
C4	C3	H3	109.6°	109.5°
C3	C4	O4	109.0°	109.6°
C3	C4	C5	110.5°	108.5°
C3	C4	H4	108.9°	109.7°
O3	CA	CB	111.3°	109.4°
O3	CA	C	109.1°	109.5°
O3	CA	HA	109.0°	109.5°
O4	C4	C5	108.7°	109.6°
O4	C4	H4	110.7°	109.6°
C4	O4	HO4	109.5°	114.0°
C5	C4	H4	109.1°	109.8°
C4	C5	O5	111.0°	107.2°
C4	C5	C6	115.7°	107.7°
C4	C5	H5	102.1°	112.6°
O5	C5	C6	102.5°	102.6°
O5	C5	H5	115.4°	112.7°
C6	C5	H5	110.7°	113.3°
C5	C6	O6	101.9°	104.9°
C5	C6	H61	112.1°	110.4°
C5	C6	H62	113.7°	110.3°
O6	C6	H61	112.1°	110.4°
O6	C6	H62	113.7°	110.3°
H61	C6	H62	103.8°	110.4°
CB	CA	C	111.0°	109.4°
CB	CA	HA	107.1°	109.5°
CA	CB	HB1	109.5°	109.5°
CA	CB	HB2	109.5°	109.5°
CA	CB	HB3	109.5°	109.5°
C	CA	HA	109.3°	109.5°
CA	C	O	120.5°	120.0°
CA	C	OXT	116.2°	120.0°
HB1	CB	HB2	109.5°	109.4°
HB1	CB	HB3	109.5°	109.4°
HB2	CB	HB3	109.5°	109.5°
O	C	OXT	123.3°	120.0°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	O6	119.4°	115.5°
C2	C1	O5	H1	118.4°	122.3°
C2	C1	O6	H1	118.4°	123.2°
C1	C2	N2	C3	120.9°	119.3°
C1	C2	N2	H2	119.9°	120.3°
C1	C2	C3	H2	119.9°	119.9°
C1	C2	N2	C7	126.6°	85.0°
C1	C2	N2	HN2	53.4°	95.0°
C1	C2	C3	O3	85.3°	68.4°
C1	C2	C3	C4	35.9°	51.5°
C1	C2	C3	H3	155.1°	171.5°
C2	C1	O5	C5	75.0°	74.7°
C2	C1	O6	C6	95.8°	89.0°
O5	C1	O6	H1	121.9°	121.7°
O5	C1	C2	N2	63.5°	55.9°
O5	C1	C2	C3	57.1°	63.9°
O5	C1	C2	H2	176.2°	176.2°
C1	O5	C5	C4	76.6°	75.2°
C1	O5	C5	C6	47.5°	38.2°
C1	O5	C5	H5	167.9°	160.5°
O5	C1	O6	C6	23.9°	26.0°
O6	C1	C2	N2	178.9°	169.8°
O6	C1	C2	C3	58.3°	50.0°
O6	C1	C2	H2	60.8°	69.9°
O6	C1	O5	C5	44.4°	40.8°
C1	O6	C6	C5	5.5°	1.7°
C1	O6	C6	H61	114.4°	120.6°
C1	O6	C6	H62	128.2°	117.2°
H1	C1	C2	N2	58.7°	66.5°
H1	C1	C2	C3	179.2°	173.8°
H1	C1	C2	H2	61.6°	53.8°
H1	C1	O5	C5	166.6°	163.0°
H1	C1	O6	C6	145.8°	147.8°
N2	C2	C3	H2	120.2°	120.3°
C2	N2	C7	HN2	180.0°	180.0°
C2	N2	C7	O7	0.4°	0.1°
C2	N2	C7	C8	180.0°	180.0°
N2	C2	C3	O3	154.8°	171.8°
N2	C2	C3	C4	84.0°	68.2°
N2	C2	C3	H3	35.2°	51.8°
C3	C2	N2	C7	112.5°	155.7°
C3	C2	N2	HN2	67.5°	24.3°
C2	C3	O3	C4	123.8°	119.9°
C2	C3	O3	H3	116.7°	120.1°
C2	C3	C4	H3	116.7°	120.0°
C2	C3	O3	CA	69.6°	89.5°
C2	C3	C4	O4	82.3°	67.7°
C2	C3	C4	C5	37.1°	52.0°
C2	C3	C4	H4	156.9°	171.9°
H2	C2	N2	C7	6.7°	35.3°
H2	C2	N2	HN2	173.3°	144.7°
H2	C2	C3	O3	34.6°	51.5°
H2	C2	C3	C4	155.8°	171.4°
H2	C2	C3	H3	85.0°	68.6°
N2	C7	O7	C8	179.5°	179.9°
N2	C7	C8	H81	79.1°	0.0°
N2	C7	C8	H82	40.9°	120.1°
N2	C7	C8	H83	160.9°	120.0°
HN2	N2	C7	O7	179.5°	180.0°
HN2	N2	C7	C8	0.0°	0.0°
O7	C7	C8	H81	100.4°	180.0°
O7	C7	C8	H82	139.6°	60.0°
O7	C7	C8	H83	19.6°	59.9°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.1°
C7	C8	H82	H83	120.0°	120.0°
H81	C8	H82	H83	120.0°	120.0°
O3	C3	C4	H3	119.8°	120.0°
O3	C3	C4	O4	154.3°	172.3°
O3	C3	C4	C5	86.3°	68.0°
O3	C3	C4	H4	33.5°	51.9°
C3	O3	CA	CB	110.2°	87.9°
C3	O3	CA	C	127.0°	152.1°
C3	O3	CA	HA	7.7°	32.1°
C4	C3	O3	CA	166.6°	150.6°
C3	C4	O4	C5	120.5°	119.0°
C3	C4	O4	H4	119.7°	120.4°
C3	C4	C5	H4	119.7°	119.8°
C3	C4	O4	HO4	102.4°	179.9°
C3	C4	C5	O5	59.8°	64.8°
C3	C4	C5	C6	56.4°	45.1°
C3	C4	C5	H5	176.7°	170.8°
H3	C3	O3	CA	47.1°	30.6°
H3	C3	C4	O4	34.5°	52.3°
H3	C3	C4	C5	153.8°	172.0°
H3	C3	C4	H4	86.3°	68.1°
O3	CA	CB	C	121.7°	120.0°
O3	CA	CB	HA	119.0°	120.0°
O3	CA	C	HA	119.1°	120.1°
O3	CA	CB	HB1	88.9°	55.5°
O3	CA	CB	HB2	31.1°	64.5°
O3	CA	CB	HB3	151.1°	175.5°
O3	CA	C	O	173.1°	4.9°
O3	CA	C	OXT	6.1°	175.0°
O4	C4	C5	H4	120.8°	120.5°
O4	C4	C5	O5	59.7°	54.9°
O4	C4	C5	C6	176.0°	164.8°
O4	C4	C5	H5	63.8°	69.5°
C5	C4	O4	HO4	137.1°	60.9°
C4	C5	O5	C6	124.1°	113.3°
C4	C5	O5	H5	115.5°	124.4°
C4	C5	C6	H5	115.5°	125.2°
C4	C5	C6	O6	88.0°	90.1°
C4	C5	C6	H61	152.0°	151.0°
C4	C5	C6	H62	34.7°	28.8°
H4	C4	O4	HO4	17.3°	59.6°
H4	C4	C5	O5	179.5°	175.4°
H4	C4	C5	C6	63.3°	74.7°
H4	C4	C5	H5	57.0°	50.9°
O5	C5	C6	H5	123.6°	121.9°
O5	C5	C6	O6	32.9°	22.8°
O5	C5	C6	H61	87.0°	96.1°
O5	C5	C6	H62	155.6°	141.7°
C5	C6	O6	H61	120.0°	118.9°
C5	C6	O6	H62	122.7°	118.8°
C5	C6	H61	H62	123.1°	122.2°
H5	C5	C6	O6	156.5°	144.7°
H5	C5	C6	H61	36.5°	25.8°
H5	C5	C6	H62	80.8°	96.5°
O6	C6	H61	H62	123.1°	122.2°
CB	CA	C	HA	117.9°	120.0°
CA	CB	HB1	HB2	120.0°	120.0°
CA	CB	HB1	HB3	120.0°	120.1°
CA	CB	HB2	HB3	120.0°	120.0°
CB	CA	C	O	50.2°	115.0°
CB	CA	C	OXT	129.0°	65.1°
C	CA	CB	HB1	32.8°	64.5°
C	CA	CB	HB2	152.8°	175.6°
C	CA	CB	HB3	87.2°	55.6°
CA	C	O	OXT	179.2°	179.9°
CA	C	OXT	HXT	179.2°	180.0°
HA	CA	CB	HB1	152.0°	175.5°
HA	CA	CB	HB2	87.9°	55.6°
HA	CA	CB	HB3	32.0°	64.4°
HA	CA	C	O	67.7°	125.0°
HA	CA	C	OXT	113.1°	54.9°
HB1	CB	HB2	HB3	120.0°	119.9°
O	C	OXT	HXT	0.0°	0.1°

Definition date:	1999-07-08
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	1QTE