CKB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2A	N1	sing	1.35Å	1.44Å
C2A	N3	sing	1.35Å	1.37Å
C2A	O2A	doub	1.22Å	1.24Å
C4A	C5A	sing	1.42Å	1.51Å
C4A	N3	sing	1.35Å	1.41Å
C4A	O4A	doub	1.22Å	1.24Å
C5A	C6A	doub	1.35Å	1.37Å
C5A	C7	sing	1.51Å	1.52Å
C6A	N1	sing	1.37Å	1.46Å
N1	C1	sing	1.46Å	1.50Å
C1	C2	sing	1.53Å	1.60Å
C1	O5	sing	1.43Å	1.47Å
C2	C3	sing	1.53Å	1.56Å
C2	O2	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.53Å
C3	O3	sing	1.43Å	1.44Å
C4	C5	sing	1.53Å	1.57Å
C4	O4	sing	1.43Å	1.46Å
C5	C6	sing	1.53Å	1.55Å
C5	O5	sing	1.43Å	1.49Å
C6	O6	sing	1.43Å	1.48Å
C6A	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C7	H7B	sing	1.09Å	1.10Å
N3	HN3	sing	0.97Å	1.00Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
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
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2A	N3	116.3°	121.0°
N1	C2A	O2A	127.0°	119.5°
C2A	N1	C6A	122.4°	120.6°
C2A	N1	C1	111.1°	119.7°
N3	C2A	O2A	116.8°	119.5°
C2A	N3	C4A	123.2°	120.2°
C2A	N3	HN3	118.4°	119.9°
C5A	C4A	N3	121.6°	119.4°
C5A	C4A	O4A	121.5°	120.3°
C4A	C5A	C6A	114.8°	119.1°
C4A	C5A	C7	124.5°	120.5°
N3	C4A	O4A	116.9°	120.3°
C4A	N3	HN3	118.4°	119.9°
C6A	C5A	C7	120.6°	120.4°
C5A	C6A	N1	121.7°	119.7°
C5A	C6A	H6	119.1°	120.2°
C5A	C7	H7	109.5°	109.4°
C5A	C7	H7A	109.5°	109.4°
C5A	C7	H7B	109.4°	109.5°
C6A	N1	C1	126.5°	119.7°
N1	C6A	H6	119.1°	120.1°
N1	C1	C2	109.5°	109.5°
N1	C1	O5	108.3°	109.5°
N1	C1	H1	112.6°	109.5°
C2	C1	O5	115.8°	109.4°
C1	C2	C3	105.8°	109.2°
C1	C2	O2	112.9°	109.5°
C2	C1	H1	104.6°	109.5°
C1	C2	H2	110.8°	109.5°
C1	O5	C5	109.4°	114.1°
O5	C1	H1	105.9°	109.5°
C3	C2	O2	112.6°	109.5°
C2	C3	C4	110.9°	109.1°
C2	C3	O3	108.8°	109.5°
C3	C2	H2	111.1°	109.5°
C2	C3	H3	109.6°	109.6°
O2	C2	H2	103.8°	109.6°
C2	O2	HO2	109.5°	113.9°
C4	C3	O3	111.0°	109.5°
C3	C4	C5	109.4°	109.2°
C3	C4	O4	110.1°	109.6°
C4	C3	H3	107.2°	109.5°
C3	C4	H4	109.3°	109.5°
O3	C3	H3	109.4°	109.6°
C3	O3	HO3	109.5°	114.0°
C5	C4	O4	110.1°	109.5°
C4	C5	C6	113.1°	109.5°
C4	C5	O5	112.4°	109.4°
C5	C4	H4	109.3°	109.5°
C4	C5	H5	103.9°	109.5°
O4	C4	H4	108.6°	109.6°
C4	O4	HO4	109.5°	114.0°
C6	C5	O5	106.5°	109.5°
C5	C6	O6	108.2°	109.5°
C6	C5	H5	110.1°	109.5°
C5	C6	H61	109.9°	109.5°
C5	C6	H62	110.2°	109.5°
O5	C5	H5	110.8°	109.5°
O6	C6	H61	109.9°	109.5°
O6	C6	H62	110.2°	109.4°
C6	O6	HO6	109.5°	114.0°
H7	C7	H7A	109.5°	109.4°
H7	C7	H7B	109.5°	109.5°
H7A	C7	H7B	109.5°	109.6°
H61	C6	H62	108.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2A	N3	O2A	179.9°	179.7°
N1	C2A	N3	C4A	0.3°	0.0°
C2A	N1	C6A	C5A	0.1°	0.0°
C2A	N1	C6A	C1	179.7°	180.0°
C2A	N1	C1	C2	137.3°	65.0°
C2A	N1	C1	O5	95.5°	54.9°
C2A	N1	C6A	H6	179.9°	180.0°
N1	C2A	N3	HN3	179.8°	180.0°
C2A	N1	C1	H1	21.2°	174.9°
C2A	N3	C4A	C5A	0.1°	0.0°
C2A	N3	C4A	HN3	180.0°	180.0°
C2A	N3	C4A	O4A	179.7°	180.0°
N3	C2A	N1	C6A	0.3°	0.0°
N3	C2A	N1	C1	180.0°	180.0°
O2A	C2A	N3	C4A	179.7°	179.7°
O2A	C2A	N1	C6A	179.6°	179.7°
O2A	C2A	N1	C1	0.1°	0.3°
O2A	C2A	N3	HN3	0.3°	0.3°
C5A	C4A	N3	O4A	179.8°	179.9°
C4A	C5A	C6A	C7	179.8°	179.9°
C4A	C5A	C6A	N1	0.0°	0.1°
C4A	C5A	C6A	H6	180.0°	180.0°
C4A	C5A	C7	H7	127.1°	0.0°
C4A	C5A	C7	H7A	112.9°	119.9°
C4A	C5A	C7	H7B	7.1°	120.0°
C5A	C4A	N3	HN3	179.9°	180.0°
N3	C4A	C5A	C6A	0.1°	0.1°
N3	C4A	C5A	C7	179.7°	180.0°
O4A	C4A	C5A	C6A	179.8°	180.0°
O4A	C4A	C5A	C7	0.1°	0.0°
O4A	C4A	N3	HN3	0.3°	0.0°
C5A	C6A	N1	H6	180.0°	179.9°
C5A	C6A	N1	C1	179.8°	179.9°
C6A	C5A	C7	H7	52.6°	179.9°
C6A	C5A	C7	H7A	67.4°	60.0°
C6A	C5A	C7	H7B	172.6°	60.1°
C7	C5A	C6A	N1	179.7°	180.0°
C7	C5A	C6A	H6	0.3°	0.0°
C5A	C7	H7	H7A	120.0°	119.9°
C5A	C7	H7	H7B	120.0°	120.0°
C5A	C7	H7A	H7B	120.0°	120.1°
C6A	N1	C1	C2	43.0°	115.0°
C6A	N1	C1	O5	84.2°	125.1°
C6A	N1	C1	H1	159.1°	5.1°
N1	C1	C2	O5	122.9°	120.0°
N1	C1	C2	H1	121.0°	120.1°
N1	C1	O5	H1	121.1°	120.0°
N1	C1	C2	C3	179.2°	177.6°
N1	C1	C2	O2	57.3°	62.5°
N1	C1	O5	C5	180.0°	178.9°
C1	N1	C6A	H6	0.2°	0.0°
N1	C1	C2	H2	58.6°	57.6°
C2	C1	O5	H1	115.5°	120.0°
C1	C2	C3	O2	123.7°	119.9°
C1	C2	C3	H2	120.3°	119.9°
C1	C2	O2	H2	120.0°	120.1°
C1	C2	C3	C4	56.1°	57.0°
C1	C2	C3	O3	178.5°	176.9°
C2	C1	O5	C5	56.5°	61.2°
C1	C2	C3	H3	62.0°	62.9°
C1	C2	O2	HO2	120.4°	180.0°
O5	C1	C2	C3	56.3°	57.6°
O5	C1	C2	O2	179.9°	177.5°
C1	O5	C5	C4	55.8°	61.1°
C1	O5	C5	C6	179.8°	178.8°
O5	C1	C2	H2	64.2°	62.3°
C1	O5	C5	H5	60.0°	58.8°
C3	C2	O2	H2	120.2°	120.2°
C2	C3	C4	O3	121.0°	119.9°
C2	C3	C4	H3	119.6°	119.9°
C2	C3	O3	H3	119.6°	120.2°
C2	C3	C4	C5	59.3°	57.0°
C2	C3	C4	O4	179.6°	176.9°
C3	C2	C1	H1	59.9°	62.4°
C2	C3	C4	H4	60.3°	62.9°
C3	C2	O2	HO2	119.9°	60.4°
C2	C3	O3	HO3	52.5°	180.0°
O2	C2	C3	C4	179.8°	176.9°
O2	C2	C3	O3	57.8°	63.3°
O2	C2	C1	H1	63.7°	57.5°
O2	C2	C3	H3	61.7°	57.0°
C4	C3	O3	H3	118.1°	120.2°
C3	C4	C5	O4	121.1°	119.9°
C3	C4	C5	H4	119.7°	119.9°
C3	C4	O4	H4	119.7°	120.2°
C3	C4	C5	C6	179.2°	177.6°
C3	C4	C5	O5	58.5°	57.6°
C4	C3	C2	H2	64.2°	62.9°
C3	C4	C5	H5	61.4°	62.4°
C4	C3	O3	HO3	69.7°	60.4°
C3	C4	O4	HO4	94.3°	60.0°
O3	C3	C4	C5	179.7°	176.9°
O3	C3	C4	O4	58.6°	63.2°
O3	C3	C2	H2	58.1°	57.0°
O3	C3	C4	H4	60.7°	57.0°
C5	C4	O4	H4	119.7°	120.1°
C4	C5	C6	O5	124.0°	120.0°
C4	C5	C6	H5	115.7°	120.0°
C4	C5	O5	H5	115.8°	119.9°
C4	C5	C6	O6	63.5°	175.0°
C5	C4	C3	H3	60.2°	62.9°
C4	C5	C6	H61	176.5°	55.0°
C4	C5	C6	H62	57.0°	65.1°
C5	C4	O4	HO4	145.0°	179.7°
O4	C4	C5	C6	59.6°	62.5°
O4	C4	C5	O5	179.7°	177.5°
O4	C4	C3	H3	60.9°	57.0°
O4	C4	C5	H5	59.8°	57.6°
C6	C5	O5	H5	119.8°	120.0°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.5°	120.0°
C6	C5	C4	H4	59.6°	57.7°
C5	C6	H61	H62	120.6°	120.0°
C5	C6	O6	HO6	109.6°	180.0°
O5	C5	C6	O6	60.5°	65.0°
C5	O5	C1	H1	58.9°	58.8°
O5	C5	C4	H4	61.1°	62.3°
O5	C5	C6	H61	59.5°	174.9°
O5	C5	C6	H62	179.0°	54.9°
O6	C6	C5	H5	179.3°	55.0°
O6	C6	H61	H62	120.5°	119.9°
H7	C7	H7A	H7B	120.0°	120.0°
H1	C1	C2	H2	179.6°	177.7°
H2	C2	C3	H3	177.6°	177.2°
H2	C2	O2	HO2	0.3°	59.8°
H3	C3	C4	H4	179.9°	177.2°
H3	C3	O3	HO3	172.2°	59.8°
H4	C4	C5	H5	179.0°	177.7°
H4	C4	O4	HO4	25.3°	60.2°
H5	C5	C6	H61	60.7°	65.1°
H5	C5	C6	H62	58.8°	174.9°
H61	C6	O6	HO6	10.4°	59.9°
H62	C6	O6	HO6	129.9°	60.1°

Definition date:	2007-11-16
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	3BD7