CJB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2A	sing	1.35Å	1.40Å
N1	C6A	sing	1.37Å	1.41Å
N1	C1	sing	1.46Å	1.49Å
O2A	C2A	doub	1.22Å	1.24Å
C2A	N3	sing	1.35Å	1.40Å
N3	C4A	sing	1.35Å	1.40Å
C4A	O4A	doub	1.22Å	1.23Å
C4A	C5A	sing	1.42Å	1.40Å
C5A	C6A	doub	1.35Å	1.40Å
C1	O5	sing	1.43Å	1.45Å
C1	C2	sing	1.53Å	1.55Å
O5	C5	sing	1.43Å	1.45Å
C5	C6	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.55Å
C6	O6	sing	1.43Å	1.43Å
C4	O4	sing	1.43Å	1.43Å
C4	C3	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.43Å
C3	C2	sing	1.53Å	1.54Å
C2	O2	sing	1.43Å	1.44Å
N3	HN3	sing	0.97Å	1.00Å
C5A	H5A	sing	1.08Å	1.08Å
C6A	H6	sing	1.08Å	1.08Å
C1	H1	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
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2A	N1	C6A	120.1°	120.6°
C2A	N1	C1	118.1°	119.7°
N1	C2A	O2A	120.3°	119.5°
N1	C2A	N3	118.9°	120.9°
C6A	N1	C1	121.8°	119.6°
N1	C6A	C5A	120.9°	119.6°
N1	C6A	H6	119.6°	120.2°
N1	C1	O5	109.9°	109.5°
N1	C1	C2	114.2°	109.5°
N1	C1	H1	107.7°	109.5°
O2A	C2A	N3	120.8°	119.5°
C2A	N3	C4A	120.7°	120.3°
C2A	N3	HN3	119.6°	119.8°
N3	C4A	O4A	118.6°	120.4°
N3	C4A	C5A	120.8°	119.4°
C4A	N3	HN3	119.7°	119.9°
O4A	C4A	C5A	120.7°	120.3°
C4A	C5A	C6A	118.5°	119.1°
C4A	C5A	H5A	120.7°	120.5°
C6A	C5A	H5A	120.7°	120.4°
C5A	C6A	H6	119.5°	120.2°
O5	C1	C2	109.6°	109.4°
C1	O5	C5	109.3°	114.1°
O5	C1	H1	108.2°	109.5°
C1	C2	C3	110.2°	109.2°
C1	C2	O2	110.7°	109.5°
C2	C1	H1	107.0°	109.5°
C1	C2	H2	107.7°	109.5°
O5	C5	C6	107.5°	109.5°
O5	C5	C4	112.4°	109.4°
O5	C5	H5	108.8°	109.5°
C6	C5	C4	112.6°	109.5°
C5	C6	O6	109.8°	109.5°
C6	C5	H5	107.8°	109.5°
C5	C6	H61	109.4°	109.5°
C5	C6	H62	109.4°	109.4°
C5	C4	O4	109.8°	109.5°
C5	C4	C3	112.0°	109.1°
C4	C5	H5	107.6°	109.5°
C5	C4	H4	107.8°	109.5°
O6	C6	H61	109.4°	109.5°
O6	C6	H62	109.4°	109.5°
C6	O6	HO6	109.5°	114.0°
O4	C4	C3	110.0°	109.5°
O4	C4	H4	109.3°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C3	O3	109.6°	109.5°
C4	C3	C2	110.8°	109.0°
C3	C4	H4	107.9°	109.6°
C4	C3	H3	108.5°	109.6°
O3	C3	C2	109.7°	109.5°
O3	C3	H3	109.9°	109.6°
C3	O3	HO3	109.5°	114.0°
C3	C2	O2	111.3°	109.5°
C2	C3	H3	108.4°	109.6°
C3	C2	H2	107.7°	109.5°
O2	C2	H2	109.1°	109.6°
C2	O2	HO2	109.5°	114.0°
H61	C6	H62	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2A	N1	C6A	C1	179.2°	179.7°
N1	C2A	O2A	N3	179.3°	180.0°
N1	C2A	N3	C4A	0.3°	0.0°
C2A	N1	C6A	C5A	0.8°	0.0°
C2A	N1	C1	O5	99.8°	125.0°
C2A	N1	C1	C2	136.5°	115.0°
N1	C2A	N3	HN3	179.7°	180.0°
C2A	N1	C6A	H6	179.2°	180.0°
C2A	N1	C1	H1	17.8°	5.0°
C6A	N1	C2A	O2A	179.8°	180.0°
C6A	N1	C2A	N3	0.9°	0.0°
N1	C6A	C5A	C4A	0.0°	0.0°
N1	C6A	C5A	H6	180.0°	180.0°
C6A	N1	C1	O5	79.4°	54.7°
C6A	N1	C1	C2	44.2°	65.2°
N1	C6A	C5A	H5A	180.0°	179.9°
C6A	N1	C1	H1	162.9°	174.7°
C1	N1	C2A	O2A	0.6°	0.3°
C1	N1	C2A	N3	179.8°	179.7°
C1	N1	C6A	C5A	180.0°	179.7°
N1	C1	O5	C2	126.3°	120.0°
N1	C1	O5	H1	117.4°	120.0°
N1	C1	C2	H1	119.1°	120.0°
N1	C1	O5	C5	167.6°	178.8°
N1	C1	C2	C3	174.7°	177.6°
N1	C1	C2	O2	51.2°	62.5°
C1	N1	C6A	H6	0.0°	0.3°
N1	C1	C2	H2	68.0°	57.7°
O2A	C2A	N3	C4A	179.5°	180.0°
O2A	C2A	N3	HN3	0.5°	0.0°
C2A	N3	C4A	HN3	180.0°	180.0°
C2A	N3	C4A	O4A	179.7°	179.9°
C2A	N3	C4A	C5A	0.5°	0.0°
N3	C4A	O4A	C5A	179.7°	179.9°
N3	C4A	C5A	C6A	0.6°	0.0°
N3	C4A	C5A	H5A	179.4°	180.0°
O4A	C4A	C5A	C6A	179.6°	180.0°
O4A	C4A	N3	HN3	0.3°	0.0°
O4A	C4A	C5A	H5A	0.4°	0.1°
C4A	C5A	C6A	H5A	180.0°	179.9°
C5A	C4A	N3	HN3	179.5°	179.9°
C4A	C5A	C6A	H6	180.0°	180.0°
O5	C1	C2	H1	117.1°	120.0°
C1	O5	C5	C6	174.3°	178.8°
C1	O5	C5	C4	61.2°	61.2°
O5	C1	C2	C3	61.4°	57.6°
O5	C1	C2	O2	175.0°	177.5°
C1	O5	C5	H5	57.9°	58.8°
O5	C1	C2	H2	55.8°	62.3°
C2	C1	O5	C5	66.0°	61.2°
C1	C2	C3	C4	50.9°	57.0°
C1	C2	C3	O3	172.0°	176.8°
C1	C2	C3	O2	123.2°	119.9°
C1	C2	C3	H2	117.2°	119.9°
C1	C2	O2	H2	118.3°	120.2°
C1	C2	C3	H3	68.0°	62.9°
C1	C2	O2	HO2	180.0°	179.9°
O5	C5	C6	C4	124.4°	119.9°
O5	C5	C6	H5	117.2°	120.1°
O5	C5	C4	H5	119.8°	120.0°
O5	C5	C6	O6	70.9°	65.0°
O5	C5	C4	O4	173.9°	177.5°
O5	C5	C4	C3	51.4°	57.6°
C5	O5	C1	H1	50.3°	58.8°
O5	C5	C6	H61	49.2°	175.0°
O5	C5	C6	H62	169.1°	55.0°
O5	C5	C4	H4	67.2°	62.4°
C6	C5	C4	H5	118.5°	120.0°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.0°	120.0°
C6	C5	C4	O4	64.5°	62.5°
C6	C5	C4	C3	173.1°	177.6°
C5	C6	H61	H62	119.8°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
C6	C5	C4	H4	54.5°	57.6°
C4	C5	C6	O6	53.5°	175.1°
C5	C4	O4	C3	123.7°	119.7°
C5	C4	O4	H4	118.0°	120.1°
C5	C4	C3	H4	118.5°	119.9°
C5	C4	C3	O3	167.1°	176.8°
C5	C4	C3	C2	45.9°	57.0°
C4	C5	C6	H61	173.6°	55.0°
C4	C5	C6	H62	66.5°	64.9°
C5	C4	O4	HO4	180.0°	180.0°
C5	C4	C3	H3	72.9°	63.0°
O6	C6	C5	H5	172.0°	55.0°
O6	C6	H61	H62	119.9°	120.0°
O4	C4	C3	H4	119.2°	120.2°
O4	C4	C3	O3	70.5°	63.3°
O4	C4	C3	C2	168.3°	176.9°
O4	C4	C5	H5	54.1°	57.5°
O4	C4	C3	H3	49.5°	56.9°
C4	C3	O3	C2	121.8°	119.5°
C4	C3	O3	H3	119.1°	120.2°
C4	C3	C2	H3	118.9°	120.0°
C4	C3	C2	O2	174.1°	176.9°
C3	C4	C5	H5	68.4°	62.4°
C3	C4	O4	HO4	56.4°	60.4°
C4	C3	O3	HO3	180.0°	60.1°
C4	C3	C2	H2	66.3°	62.9°
O3	C3	C2	H3	120.0°	120.3°
O3	C3	C2	O2	64.8°	63.3°
O3	C3	C4	H4	48.7°	56.9°
O3	C3	C2	H2	54.8°	56.9°
C3	C2	O2	H2	118.8°	120.2°
C3	C2	C1	H1	55.6°	62.3°
C2	C3	C4	H4	72.6°	62.9°
C2	C3	O3	HO3	58.2°	179.6°
C3	C2	O2	HO2	57.1°	60.4°
O2	C2	C1	H1	67.9°	57.5°
O2	C2	C3	H3	55.2°	57.0°
H5A	C5A	C6A	H6	0.0°	0.1°
H1	C1	C2	H2	172.9°	177.7°
H5	C5	C6	H61	68.0°	65.0°
H5	C5	C6	H62	51.9°	175.1°
H5	C5	C4	H4	173.0°	177.6°
H61	C6	O6	HO6	60.0°	60.0°
H62	C6	O6	HO6	60.0°	60.0°
H4	C4	O4	HO4	62.0°	59.9°
H4	C4	C3	H3	168.6°	177.1°
H3	C3	O3	HO3	60.9°	60.1°
H3	C3	C2	H2	174.8°	177.2°
H2	C2	O2	HO2	61.7°	59.8°

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