C4B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.56Å
C1	O5	sing	1.43Å	1.49Å
C1	N1	sing	1.47Å	1.52Å
C2	O2	sing	1.43Å	1.46Å
C2	C3	sing	1.53Å	1.57Å
C3	O3	sing	1.43Å	1.46Å
C3	C4	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.56Å
C5	O5	sing	1.43Å	1.47Å
C5	C6	sing	1.53Å	1.57Å
C6	O6	sing	1.43Å	1.47Å
N1	C2A	sing	1.35Å	1.43Å
N1	C6A	sing	1.35Å	1.46Å
C2A	O2A	doub	1.21Å	1.27Å
C2A	N3	sing	1.35Å	1.35Å
N3	C4A	sing	1.35Å	1.37Å
C4A	O4A	doub	1.21Å	1.21Å
C4A	N5	sing	1.35Å	1.38Å
N5	C6A	sing	1.35Å	1.38Å
C6A	O6A	doub	1.22Å	1.23Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
N3	HN3	sing	0.97Å	1.00Å
N5	HN5	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	115.2°	109.4°
C2	C1	N1	112.5°	109.5°
C1	C2	O2	111.6°	109.5°
C1	C2	C3	106.5°	109.1°
C2	C1	H1	102.2°	109.5°
C1	C2	H2	111.1°	109.6°
O5	C1	N1	106.2°	109.4°
C1	O5	C5	109.9°	114.1°
O5	C1	H1	108.9°	109.5°
C1	N1	C2A	111.9°	120.0°
C1	N1	C6A	129.5°	120.0°
N1	C1	H1	111.8°	109.5°
O2	C2	C3	112.3°	109.5°
O2	C2	H2	105.1°	109.5°
C2	O2	HO2	109.5°	114.0°
C2	C3	O3	110.5°	109.5°
C2	C3	C4	109.7°	109.0°
C3	C2	H2	110.3°	109.6°
C2	C3	H3	108.9°	109.6°
O3	C3	C4	110.1°	109.5°
O3	C3	H3	108.4°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	111.1°	109.5°
C3	C4	C5	109.4°	109.1°
C4	C3	H3	109.3°	109.6°
C3	C4	H4	108.6°	109.6°
O4	C4	C5	110.1°	109.5°
O4	C4	H4	107.9°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C5	O5	113.8°	109.4°
C4	C5	C6	113.5°	109.5°
C5	C4	H4	109.6°	109.6°
C4	C5	H5	102.6°	109.5°
O5	C5	C6	106.8°	109.5°
O5	C5	H5	109.9°	109.4°
C5	C6	O6	109.8°	109.5°
C6	C5	H5	110.1°	109.5°
C5	C6	H61	109.4°	109.5°
C5	C6	H62	109.3°	109.4°
O6	C6	H61	109.3°	109.5°
O6	C6	H62	109.3°	109.5°
C6	O6	HO6	109.5°	114.0°
C2A	N1	C6A	118.6°	120.0°
N1	C2A	O2A	123.6°	120.0°
N1	C2A	N3	119.1°	120.0°
N1	C6A	N5	117.9°	120.0°
N1	C6A	O6A	125.7°	120.0°
O2A	C2A	N3	117.3°	120.0°
C2A	N3	C4A	122.8°	120.0°
C2A	N3	HN3	118.6°	120.0°
N3	C4A	O4A	118.9°	120.0°
N3	C4A	N5	120.0°	120.0°
C4A	N3	HN3	118.6°	120.0°
O4A	C4A	N5	121.1°	120.0°
C4A	N5	C6A	121.6°	120.0°
C4A	N5	HN5	119.2°	120.0°
N5	C6A	O6A	116.4°	120.0°
C6A	N5	HN5	119.2°	120.0°
H61	C6	H62	109.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	N1	125.3°	120.0°
C2	C1	O5	H1	114.1°	120.0°
C2	C1	N1	H1	114.3°	120.1°
C1	C2	O2	C3	119.5°	119.6°
C1	C2	O2	H2	120.6°	120.2°
C1	C2	C3	H2	120.7°	120.0°
C1	C2	C3	O3	179.2°	176.9°
C1	C2	C3	C4	57.7°	57.0°
C2	C1	O5	C5	55.7°	61.2°
C2	C1	N1	C2A	139.4°	115.0°
C2	C1	N1	C6A	40.6°	65.2°
C1	C2	O2	HO2	104.0°	180.0°
C1	C2	C3	H3	61.9°	62.9°
O5	C1	N1	H1	118.7°	120.0°
O5	C1	C2	O2	179.6°	177.5°
O5	C1	C2	C3	57.5°	57.7°
C1	O5	C5	C4	53.8°	61.1°
C1	O5	C5	C6	179.9°	178.8°
O5	C1	N1	C2A	93.6°	125.1°
O5	C1	N1	C6A	86.4°	54.7°
O5	C1	C2	H2	62.7°	62.3°
C1	O5	C5	H5	60.6°	58.8°
N1	C1	C2	O2	57.7°	62.6°
N1	C1	C2	C3	179.5°	177.6°
N1	C1	O5	C5	179.0°	178.9°
C1	N1	C2A	C6A	180.0°	179.8°
C1	N1	C2A	O2A	0.1°	0.1°
C1	N1	C2A	N3	179.9°	180.0°
C1	N1	C6A	N5	179.9°	179.7°
C1	N1	C6A	O6A	0.1°	0.0°
N1	C1	C2	H2	59.3°	57.6°
O2	C2	C3	H2	116.9°	120.2°
O2	C2	C3	O3	58.4°	63.3°
O2	C2	C3	C4	179.9°	176.9°
O2	C2	C1	H1	62.4°	57.5°
O2	C2	C3	H3	60.5°	56.9°
C2	C3	O3	C4	121.3°	119.5°
C2	C3	O3	H3	119.2°	120.2°
C2	C3	C4	H3	119.3°	120.0°
C2	C3	C4	O4	179.9°	176.9°
C2	C3	C4	C5	58.4°	57.0°
C3	C2	C1	H1	60.5°	62.3°
C3	C2	O2	HO2	136.5°	60.3°
C2	C3	O3	HO3	46.9°	180.0°
C2	C3	C4	H4	61.3°	62.9°
O3	C3	C4	H3	119.0°	120.2°
O3	C3	C4	O4	58.1°	63.3°
O3	C3	C4	C5	179.9°	176.9°
O3	C3	C2	H2	58.5°	56.9°
O3	C3	C4	H4	60.4°	56.9°
C3	C4	O4	C5	121.4°	119.7°
C3	C4	O4	H4	118.9°	120.2°
C3	C4	C5	H4	119.0°	120.0°
C3	C4	C5	O5	57.0°	57.6°
C3	C4	C5	C6	179.6°	177.6°
C4	C3	C2	H2	63.0°	62.9°
C4	C3	O3	HO3	74.3°	60.5°
C3	C4	O4	HO4	37.7°	60.0°
C3	C4	C5	H5	61.6°	62.3°
O4	C4	C5	H4	118.6°	120.1°
O4	C4	C5	O5	179.4°	177.5°
O4	C4	C5	C6	58.1°	62.5°
O4	C4	C3	H3	60.9°	56.9°
O4	C4	C5	H5	60.8°	57.6°
C4	C5	O5	C6	126.1°	120.0°
C4	C5	O5	H5	114.4°	120.0°
C4	C5	C6	H5	114.4°	120.1°
C4	C5	C6	O6	45.7°	175.1°
C5	C4	C3	H3	60.9°	62.9°
C5	C4	O4	HO4	83.7°	179.7°
C4	C5	C6	H61	165.7°	55.0°
C4	C5	C6	H62	74.2°	65.0°
O5	C5	C6	H5	119.3°	120.0°
O5	C5	C6	O6	80.6°	65.0°
C5	O5	C1	H1	58.4°	58.9°
O5	C5	C4	H4	62.0°	62.4°
O5	C5	C6	H61	39.4°	174.9°
O5	C5	C6	H62	159.5°	55.0°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	119.8°	119.9°
C6	C5	C4	H4	60.5°	57.7°
C5	C6	H61	H62	119.9°	119.9°
C5	C6	O6	HO6	145.2°	180.0°
O6	C6	C5	H5	160.1°	55.0°
O6	C6	H61	H62	119.9°	120.1°
N1	C2A	O2A	N3	179.8°	179.9°
N1	C2A	N3	C4A	0.1°	0.0°
C2A	N1	C6A	N5	0.1°	0.5°
C2A	N1	C6A	O6A	179.9°	179.8°
C2A	N1	C1	H1	25.1°	5.1°
N1	C2A	N3	HN3	179.9°	179.9°
C6A	N1	C2A	O2A	179.9°	179.7°
C6A	N1	C2A	N3	0.1°	0.2°
N1	C6A	N5	C4A	0.1°	0.5°
N1	C6A	N5	O6A	179.8°	179.8°
C6A	N1	C1	H1	154.9°	174.7°
N1	C6A	N5	HN5	179.9°	179.7°
O2A	C2A	N3	C4A	179.9°	179.9°
O2A	C2A	N3	HN3	0.1°	0.0°
C2A	N3	C4A	HN3	180.0°	180.0°
C2A	N3	C4A	O4A	180.0°	180.0°
C2A	N3	C4A	N5	0.1°	0.0°
N3	C4A	O4A	N5	180.0°	180.0°
N3	C4A	N5	C6A	0.1°	0.2°
N3	C4A	N5	HN5	179.9°	180.0°
O4A	C4A	N5	C6A	180.0°	179.7°
O4A	C4A	N3	HN3	0.1°	0.0°
O4A	C4A	N5	HN5	0.0°	0.1°
C4A	N5	C6A	HN5	180.0°	179.8°
C4A	N5	C6A	O6A	179.9°	179.8°
N5	C4A	N3	HN3	179.9°	179.9°
O6A	C6A	N5	HN5	0.1°	0.0°
H1	C1	C2	H2	179.4°	177.7°
H2	C2	O2	HO2	16.5°	59.9°
H2	C2	C3	H3	177.4°	177.1°
H3	C3	O3	HO3	166.2°	59.8°
H3	C3	C4	H4	179.4°	177.1°
H4	C4	O4	HO4	156.6°	60.2°
H4	C4	C5	H5	179.4°	177.7°
H5	C5	C6	H61	79.9°	65.1°
H5	C5	C6	H62	40.2°	175.0°
H61	C6	O6	HO6	94.8°	59.9°
H62	C6	O6	HO6	25.4°	60.1°

Definition date:	2007-11-18
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	3BDA