GPU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2A	sing	1.35Å	1.42Å
N1	C6A	sing	1.37Å	1.41Å
N1	C1	sing	1.47Å	1.48Å
BR1	C5A	sing	1.89Å	1.91Å
C2A	O2A	doub	1.22Å	1.23Å
C2A	N3	sing	1.35Å	1.43Å
N3	C4A	sing	1.35Å	1.41Å
C4A	O4A	doub	1.22Å	1.22Å
C4A	C5A	sing	1.42Å	1.40Å
C5A	C6A	doub	1.35Å	1.40Å
C1	C2	sing	1.53Å	1.53Å
C1	O5	sing	1.43Å	1.45Å
C2	O2	sing	1.43Å	1.45Å
C2	C3	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.55Å
C4	O4	sing	1.43Å	1.41Å
C4	C5	sing	1.53Å	1.54Å
C5	O5	sing	1.43Å	1.42Å
C5	C6	sing	1.53Å	1.52Å
C6	O6	sing	1.43Å	1.43Å
N3	HN3	sing	0.97Å	1.00Å
C6A	H6	sing	1.08Å	1.08Å
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

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2A	N1	C6A	120.2°	120.7°
C2A	N1	C1	118.8°	119.7°
N1	C2A	O2A	121.6°	119.6°
N1	C2A	N3	118.6°	120.9°
C6A	N1	C1	121.0°	119.7°
N1	C6A	C5A	120.5°	119.6°
N1	C6A	H6	119.7°	120.2°
N1	C1	C2	110.7°	109.5°
N1	C1	O5	115.8°	109.4°
N1	C1	H1	103.0°	109.5°
BR1	C5A	C4A	121.3°	120.5°
BR1	C5A	C6A	118.7°	120.4°
O2A	C2A	N3	119.8°	119.5°
C2A	N3	C4A	120.3°	120.3°
C2A	N3	HN3	119.8°	119.9°
N3	C4A	O4A	117.7°	120.3°
N3	C4A	C5A	120.4°	119.4°
C4A	N3	HN3	119.9°	119.8°
O4A	C4A	C5A	121.9°	120.3°
C4A	C5A	C6A	120.0°	119.1°
C5A	C6A	H6	119.7°	120.1°
C2	C1	O5	105.4°	109.4°
C1	C2	O2	109.7°	109.5°
C1	C2	C3	106.3°	109.1°
C2	C1	H1	113.8°	109.5°
C1	C2	H2	113.6°	109.6°
C1	O5	C5	107.7°	114.1°
O5	C1	H1	108.5°	109.5°
O2	C2	C3	115.4°	109.5°
O2	C2	H2	104.3°	109.6°
C2	O2	HO2	109.5°	114.0°
C2	C3	O3	109.7°	109.5°
C2	C3	C4	111.6°	109.0°
C3	C2	H2	107.8°	109.5°
C2	C3	H3	107.4°	109.5°
O3	C3	C4	108.2°	109.5°
O3	C3	H3	110.9°	109.6°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	109.1°	109.5°
C3	C4	C5	114.0°	109.2°
C4	C3	H3	109.0°	109.6°
C3	C4	H4	107.0°	109.5°
O4	C4	C5	110.5°	109.5°
O4	C4	H4	110.7°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C5	O5	101.2°	109.4°
C4	C5	C6	116.8°	109.5°
C5	C4	H4	105.4°	109.6°
C4	C5	H5	108.1°	109.5°
O5	C5	C6	101.7°	109.5°
O5	C5	H5	121.9°	109.5°
C5	C6	O6	109.2°	109.5°
C6	C5	H5	107.6°	109.5°
C5	C6	H61	109.6°	109.4°
C5	C6	H62	109.6°	109.4°
O6	C6	H61	109.6°	109.5°
O6	C6	H62	109.6°	109.5°
C6	O6	HO6	109.5°	114.0°
H61	C6	H62	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2A	N1	C6A	C1	179.8°	179.8°
N1	C2A	O2A	N3	178.8°	179.9°
N1	C2A	N3	C4A	0.7°	0.0°
C2A	N1	C6A	C5A	0.6°	0.0°
C2A	N1	C1	C2	122.6°	115.0°
C2A	N1	C1	O5	117.6°	125.1°
N1	C2A	N3	HN3	179.3°	180.0°
C2A	N1	C6A	H6	179.4°	180.0°
C2A	N1	C1	H1	0.6°	5.0°
N1	C6A	C5A	BR1	179.2°	180.0°
C6A	N1	C2A	O2A	178.8°	180.0°
C6A	N1	C2A	N3	0.0°	0.0°
N1	C6A	C5A	C4A	0.6°	0.0°
N1	C6A	C5A	H6	180.0°	180.0°
C6A	N1	C1	C2	57.2°	65.2°
C6A	N1	C1	O5	62.6°	54.7°
C6A	N1	C1	H1	179.2°	174.7°
C1	N1	C2A	O2A	1.0°	0.2°
C1	N1	C2A	N3	179.8°	179.7°
C1	N1	C6A	C5A	179.6°	179.8°
N1	C1	C2	O5	125.9°	119.9°
N1	C1	C2	H1	115.4°	120.1°
N1	C1	O5	H1	115.1°	120.1°
N1	C1	C2	O2	46.0°	62.6°
N1	C1	C2	C3	171.4°	177.6°
N1	C1	O5	C5	154.2°	178.8°
C1	N1	C6A	H6	0.4°	0.2°
N1	C1	C2	H2	70.2°	57.6°
BR1	C5A	C4A	N3	179.8°	180.0°
BR1	C5A	C4A	O4A	2.9°	0.0°
BR1	C5A	C4A	C6A	179.8°	180.0°
BR1	C5A	C6A	H6	0.8°	0.0°
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	178.1°	180.0°
C2A	N3	C4A	C5A	0.7°	0.0°
N3	C4A	O4A	C5A	177.4°	180.0°
N3	C4A	C5A	C6A	0.0°	0.0°
O4A	C4A	C5A	C6A	177.4°	180.0°
O4A	C4A	N3	HN3	1.9°	0.0°
C5A	C4A	N3	HN3	179.3°	180.0°
C4A	C5A	C6A	H6	179.4°	180.0°
C2	C1	O5	H1	122.3°	120.0°
C1	C2	O2	C3	120.0°	119.6°
C1	C2	O2	H2	122.0°	120.2°
C1	C2	C3	H2	122.1°	119.9°
C1	C2	C3	O3	166.4°	176.8°
C1	C2	C3	C4	46.5°	57.0°
C2	C1	O5	C5	83.2°	61.2°
C1	C2	O2	HO2	180.0°	179.9°
C1	C2	C3	H3	72.9°	62.9°
O5	C1	C2	O2	171.9°	177.5°
O5	C1	C2	C3	62.7°	57.7°
C1	O5	C5	C4	75.2°	61.2°
C1	O5	C5	C6	164.1°	178.8°
O5	C1	C2	H2	55.6°	62.3°
C1	O5	C5	H5	44.5°	58.8°
O2	C2	C3	H2	116.0°	120.2°
O2	C2	C3	O3	71.7°	63.3°
O2	C2	C3	C4	168.4°	176.9°
O2	C2	C1	H1	69.4°	57.5°
O2	C2	C3	H3	49.0°	57.0°
C2	C3	O3	C4	122.0°	119.5°
C2	C3	O3	H3	118.5°	120.2°
C2	C3	C4	H3	118.5°	119.9°
C2	C3	C4	O4	170.1°	176.9°
C2	C3	C4	C5	46.0°	57.0°
C3	C2	C1	H1	56.0°	62.4°
C3	C2	O2	HO2	60.0°	60.4°
C2	C3	O3	HO3	180.0°	180.0°
C2	C3	C4	H4	70.1°	63.0°
O3	C3	C4	H3	120.7°	120.3°
O3	C3	C4	O4	69.1°	63.3°
O3	C3	C4	C5	166.8°	176.8°
O3	C3	C2	H2	44.3°	56.9°
O3	C3	C4	H4	50.7°	56.9°
C3	C4	O4	C5	126.1°	119.7°
C3	C4	O4	H4	117.4°	120.1°
C3	C4	C5	H4	117.0°	120.0°
C3	C4	C5	O5	56.6°	57.7°
C3	C4	C5	C6	166.0°	177.6°
C4	C3	C2	H2	75.6°	62.9°
C4	C3	O3	HO3	58.0°	60.5°
C3	C4	O4	HO4	180.0°	60.1°
C3	C4	C5	H5	72.5°	62.3°
O4	C4	C5	H4	119.7°	120.2°
O4	C4	C5	O5	179.9°	177.5°
O4	C4	C5	C6	70.7°	62.5°
O4	C4	C3	H3	51.6°	57.0°
O4	C4	C5	H5	50.8°	57.5°
C4	C5	O5	C6	120.7°	120.0°
C4	C5	O5	H5	119.7°	120.0°
C4	C5	C6	H5	121.7°	120.1°
C4	C5	C6	O6	44.8°	175.0°
C5	C4	C3	H3	72.5°	62.9°
C5	C4	O4	HO4	53.9°	179.7°
C4	C5	C6	H61	164.8°	55.0°
C4	C5	C6	H62	75.1°	65.0°
O5	C5	C6	H5	129.2°	120.0°
O5	C5	C6	O6	64.2°	65.1°
C5	O5	C1	H1	39.0°	58.8°
O5	C5	C4	H4	60.4°	62.3°
O5	C5	C6	H61	55.8°	174.9°
O5	C5	C6	H62	175.8°	54.9°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.0°	120.0°
C6	C5	C4	H4	49.0°	57.7°
C5	C6	H61	H62	120.1°	119.9°
C5	C6	O6	HO6	180.0°	180.0°
O6	C6	C5	H5	166.6°	55.0°
O6	C6	H61	H62	120.1°	120.1°
H1	C1	C2	H2	174.4°	177.7°
H2	C2	O2	HO2	58.0°	59.7°
H2	C2	C3	H3	165.0°	177.1°
H3	C3	O3	HO3	61.5°	59.8°
H3	C3	C4	H4	171.4°	177.1°
H4	C4	O4	HO4	62.5°	60.1°
H4	C4	C5	H5	170.5°	177.7°
H5	C5	C6	H61	73.4°	65.1°
H5	C5	C6	H62	46.6°	175.0°
H61	C6	O6	HO6	60.0°	60.1°
H62	C6	O6	HO6	60.0°	60.0°

Definition date:	2011-08-10
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	3T3G