8OX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O50	C50	sing	1.43Å	1.43Å
C50	C40	sing	1.53Å	1.54Å
C40	O40	sing	1.44Å	1.43Å
C40	C30	sing	1.54Å	1.52Å
O40	C10	sing	1.44Å	1.44Å
C30	O30	sing	1.43Å	1.43Å
C30	C20	sing	1.55Å	1.53Å
C20	O20	sing	1.43Å	1.43Å
C20	C10	sing	1.55Å	1.53Å
C10	N9	sing	1.47Å	1.50Å
N9	C8	sing	1.35Å	1.44Å
N9	C4	sing	1.38Å	1.43Å
C8	O8	doub	1.22Å	1.25Å
C8	N7	sing	1.35Å	1.42Å
N7	C5	sing	1.39Å	1.43Å
C5	C6	doub	1.39Å	1.40Å	Aromatic
C5	C4	sing	1.40Å	1.37Å	Aromatic
C6	N6	sing	1.39Å	1.40Å
C6	N1	sing	1.33Å	1.34Å	Aromatic
N1	C2	doub	1.32Å	1.34Å	Aromatic
C2	N3	sing	1.32Å	1.33Å	Aromatic
N3	C4	doub	1.33Å	1.34Å	Aromatic
O50	HO50	sing	0.97Å	0.95Å
C50	H50	sing	1.09Å	1.10Å
C50	H50A	sing	1.09Å	1.10Å
C40	H40	sing	1.09Å	1.10Å
C30	H30	sing	1.09Å	1.10Å
O30	HO30	sing	0.97Å	0.95Å
C20	H20	sing	1.09Å	1.10Å
O20	HO20	sing	0.97Å	0.95Å
C10	H10	sing	1.09Å	1.10Å
N7	HN7	sing	0.97Å	1.00Å
N6	HN6	sing	0.97Å	1.00Å
N6	HN6A	sing	0.97Å	1.00Å
C2	H2	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O50	C50	C40	111.1°	109.5°
C50	O50	HO50	109.5°	114.0°
O50	C50	H50	108.9°	109.5°
O50	C50	H50A	108.9°	109.4°
C50	C40	O40	112.7°	109.9°
C50	C40	C30	114.5°	109.9°
C40	C50	H50	108.9°	109.5°
C40	C50	H50A	109.0°	109.5°
C50	C40	H40	102.5°	109.9°
O40	C40	C30	105.8°	107.3°
C40	O40	C10	108.4°	107.0°
O40	C40	H40	111.7°	109.8°
C40	C30	O30	111.3°	110.6°
C40	C30	C20	97.4°	104.2°
C30	C40	H40	109.8°	110.0°
C40	C30	H30	117.3°	110.5°
O40	C10	C20	105.1°	103.5°
O40	C10	N9	112.3°	110.6°
O40	C10	H10	112.3°	110.6°
O30	C30	C20	113.2°	110.5°
O30	C30	H30	102.7°	110.5°
C30	O30	HO30	109.5°	114.0°
C30	C20	O20	111.4°	110.9°
C30	C20	C10	102.9°	102.1°
C20	C30	H30	115.5°	110.6°
C30	C20	H20	112.8°	110.9°
O20	C20	C10	110.2°	110.9°
O20	C20	H20	105.8°	110.8°
C20	O20	HO20	109.5°	113.9°
C20	C10	N9	114.0°	110.6°
C10	C20	H20	113.9°	110.9°
C20	C10	H10	110.4°	110.6°
C10	N9	C8	129.3°	125.7°
C10	N9	C4	125.2°	125.7°
N9	C10	H10	102.9°	110.6°
C8	N9	C4	105.5°	108.6°
N9	C8	O8	128.4°	125.2°
N9	C8	N7	108.9°	109.6°
N9	C4	C5	109.8°	106.8°
N9	C4	N3	128.8°	134.1°
O8	C8	N7	122.7°	125.2°
C8	N7	C5	106.9°	108.1°
C8	N7	HN7	126.6°	126.0°
N7	C5	C6	131.7°	134.5°
N7	C5	C4	108.9°	106.9°
C5	N7	HN7	126.6°	126.0°
C6	C5	C4	119.3°	118.6°
C5	C6	N6	122.9°	120.7°
C5	C6	N1	118.1°	118.6°
C5	C4	N3	121.4°	119.0°
N6	C6	N1	119.0°	120.7°
C6	N6	HN6	109.5°	120.0°
C6	N6	HN6A	109.4°	120.0°
C6	N1	C2	119.4°	120.9°
N1	C2	N3	124.6°	122.3°
N1	C2	H2	117.7°	118.9°
C2	N3	C4	117.1°	120.6°
N3	C2	H2	117.6°	118.9°
H50	C50	H50A	110.0°	109.5°
HN6	N6	HN6A	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O50	C50	C40	H50	120.0°	120.0°
O50	C50	C40	H50A	120.0°	119.9°
O50	C50	C40	O40	14.3°	66.5°
O50	C50	C40	C30	106.6°	175.6°
O50	C50	H50	H50A	119.3°	119.9°
O50	C50	C40	H40	134.6°	54.5°
C50	C40	O40	C30	125.7°	119.5°
C50	C40	O40	H40	114.8°	121.0°
C50	C40	C30	H40	114.7°	121.1°
C50	C40	O40	C10	152.9°	145.9°
C50	C40	C30	O30	74.3°	119.9°
C50	C40	C30	C20	167.3°	121.4°
C40	C50	O50	HO50	180.0°	180.0°
C40	C50	H50	H50A	119.4°	120.1°
C50	C40	C30	H30	43.6°	2.7°
O40	C40	C30	H40	120.7°	119.4°
O40	C40	C30	O30	161.1°	120.7°
O40	C40	C30	C20	42.7°	2.0°
C40	O40	C10	C20	0.8°	40.0°
C40	O40	C10	N9	123.7°	158.5°
O40	C40	C50	H50	134.3°	53.5°
O40	C40	C50	H50A	105.7°	173.6°
O40	C40	C30	H30	81.1°	116.8°
C40	O40	C10	H10	120.9°	78.5°
C30	C40	O40	C10	27.2°	26.4°
C40	C30	O30	C20	108.5°	114.8°
C40	C30	O30	H30	126.3°	122.6°
C40	C30	C20	H30	125.1°	118.7°
C40	C30	C20	O20	76.3°	139.1°
C40	C30	C20	C10	41.7°	20.9°
C30	C40	C50	H50	13.4°	64.3°
C30	C40	C50	H50A	133.4°	55.7°
C40	C30	O30	HO30	180.0°	61.4°
C40	C30	C20	H20	164.9°	97.3°
O40	C10	C20	C30	28.0°	37.0°
O40	C10	C20	O20	90.8°	155.2°
O40	C10	C20	N9	123.4°	118.5°
O40	C10	C20	H10	121.3°	118.5°
O40	C10	N9	H10	120.9°	122.9°
O40	C10	N9	C8	97.1°	53.6°
O40	C10	N9	C4	80.8°	126.7°
C10	O40	C40	H40	92.3°	93.1°
O40	C10	C20	H20	150.4°	81.2°
O30	C30	C20	H30	118.0°	122.6°
O30	C30	C20	O20	40.7°	20.3°
O30	C30	C20	C10	158.7°	97.9°
O30	C30	C40	H40	40.4°	1.2°
O30	C30	C20	H20	78.1°	143.9°
C30	C20	O20	C10	113.5°	112.7°
C30	C20	O20	H20	122.9°	123.7°
C30	C20	C10	H20	122.4°	118.2°
C30	C20	C10	N9	95.4°	155.5°
C20	C30	C40	H40	78.0°	117.5°
C20	C30	O30	HO30	71.5°	176.3°
C30	C20	O20	HO20	180.0°	61.5°
C30	C20	C10	H10	149.3°	81.5°
O20	C20	C10	H20	118.7°	123.6°
O20	C20	C10	N9	145.7°	86.2°
O20	C20	C30	H30	158.7°	102.2°
O20	C20	C10	H10	30.4°	36.7°
C20	C10	N9	H10	119.6°	123.0°
C20	C10	N9	C8	22.4°	60.5°
C20	C10	N9	C4	159.8°	119.2°
C10	C20	C30	H30	83.3°	139.6°
C10	C20	O20	HO20	66.5°	174.2°
C10	N9	C8	C4	178.2°	179.8°
C10	N9	C8	O8	1.9°	0.1°
C10	N9	C8	N7	179.1°	180.0°
C10	N9	C4	C5	179.0°	179.8°
C10	N9	C4	N3	1.4°	0.8°
N9	C10	C20	H20	27.0°	37.3°
N9	C8	O8	N7	178.9°	179.9°
N9	C8	N7	C5	0.8°	0.1°
C8	N9	C4	C5	0.7°	0.4°
C8	N9	C4	N3	179.6°	179.5°
C8	N9	C10	H10	142.0°	176.5°
N9	C8	N7	HN7	179.2°	180.0°
C4	N9	C8	O8	179.9°	179.7°
C4	N9	C8	N7	0.9°	0.2°
N9	C4	C5	N7	0.2°	0.5°
N9	C4	C5	C6	179.7°	179.9°
N9	C4	C5	N3	179.7°	179.2°
N9	C4	N3	C2	179.7°	179.7°
C4	N9	C10	H10	40.1°	3.8°
O8	C8	N7	C5	179.9°	180.0°
O8	C8	N7	HN7	0.1°	0.1°
C8	N7	C5	HN7	180.0°	179.9°
C8	N7	C5	C6	179.7°	179.9°
C8	N7	C5	C4	0.4°	0.3°
N7	C5	C6	C4	179.9°	179.5°
N7	C5	C6	N6	0.0°	0.2°
N7	C5	C6	N1	179.8°	179.9°
N7	C5	C4	N3	179.9°	179.7°
C5	C6	N6	N1	179.9°	179.9°
C5	C6	N1	C2	0.2°	0.1°
C6	C5	C4	N3	0.1°	0.7°
C6	C5	N7	HN7	0.3°	0.2°
C5	C6	N6	HN6	179.9°	0.1°
C5	C6	N6	HN6A	60.1°	179.9°
C4	C5	C6	N6	180.0°	179.7°
C4	C5	C6	N1	0.1°	0.4°
C5	C4	N3	C2	0.1°	0.7°
C4	C5	N7	HN7	179.6°	179.8°
N6	C6	N1	C2	180.0°	180.0°
C6	N6	HN6	HN6A	120.0°	180.0°
C6	N1	C2	N3	0.2°	0.1°
N1	C6	N6	HN6	0.0°	180.0°
N1	C6	N6	HN6A	120.0°	0.0°
C6	N1	C2	H2	179.8°	180.0°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.1°	0.4°
C4	N3	C2	H2	179.8°	179.7°
HO50	O50	C50	H50	60.0°	59.9°
HO50	O50	C50	H50A	60.0°	60.1°
H50	C50	C40	H40	105.4°	174.5°
H50A	C50	C40	H40	14.6°	65.4°
H40	C40	C30	H30	158.2°	123.8°
H30	C30	O30	HO30	53.7°	61.1°
H30	C30	C20	H20	39.9°	21.4°
H20	C20	O20	HO20	57.1°	62.2°
H20	C20	C10	H10	88.3°	160.3°

Definition date:	2010-05-19
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	3MWL