GPV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
I	C5A	sing	2.09Å	2.13Å
N1	C2A	sing	1.35Å	1.39Å
N1	C6A	sing	1.37Å	1.38Å
N1	C1	sing	1.46Å	1.49Å
C2A	O2A	doub	1.22Å	1.23Å
C2A	N3	sing	1.35Å	1.41Å
N3	C4A	sing	1.35Å	1.40Å
C4A	O4A	doub	1.22Å	1.22Å
C4A	C5A	sing	1.42Å	1.39Å
C5A	C6A	doub	1.35Å	1.40Å
C1	C2	sing	1.53Å	1.56Å
C1	O5	sing	1.43Å	1.43Å
C2	O2	sing	1.43Å	1.45Å
C2	C3	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.41Å
C3	C4	sing	1.53Å	1.51Å
C4	O4	sing	1.43Å	1.43Å
C4	C5	sing	1.53Å	1.54Å
C5	O5	sing	1.43Å	1.38Å
C5	C6	sing	1.53Å	1.55Å
C6	O6	sing	1.43Å	1.42Å
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)
I	C5A	C4A	123.0°	120.4°
I	C5A	C6A	118.3°	120.5°
C2A	N1	C6A	119.6°	120.6°
C2A	N1	C1	119.6°	119.7°
N1	C2A	O2A	120.3°	119.5°
N1	C2A	N3	119.7°	120.9°
C6A	N1	C1	120.8°	119.7°
N1	C6A	C5A	121.7°	119.7°
N1	C6A	H6	119.1°	120.1°
N1	C1	C2	113.3°	109.5°
N1	C1	O5	115.9°	109.5°
N1	C1	H1	100.7°	109.5°
O2A	C2A	N3	119.9°	119.6°
C2A	N3	C4A	120.1°	120.3°
C2A	N3	HN3	120.0°	119.9°
N3	C4A	O4A	118.3°	120.3°
N3	C4A	C5A	120.2°	119.4°
C4A	N3	HN3	119.9°	119.8°
O4A	C4A	C5A	121.5°	120.3°
C4A	C5A	C6A	118.6°	119.1°
C5A	C6A	H6	119.1°	120.2°
C2	C1	O5	105.0°	109.4°
C1	C2	O2	111.2°	109.5°
C1	C2	C3	106.4°	109.2°
C2	C1	H1	112.4°	109.5°
C1	C2	H2	111.0°	109.5°
C1	O5	C5	110.4°	114.1°
O5	C1	H1	109.7°	109.5°
O2	C2	C3	111.2°	109.5°
O2	C2	H2	106.1°	109.6°
C2	O2	HO2	109.5°	114.0°
C2	C3	O3	113.2°	109.5°
C2	C3	C4	113.3°	109.1°
C3	C2	H2	110.9°	109.6°
C2	C3	H3	104.7°	109.6°
O3	C3	C4	111.5°	109.5°
O3	C3	H3	106.8°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	105.9°	109.5°
C3	C4	C5	111.2°	109.1°
C4	C3	H3	106.7°	109.6°
C3	C4	H4	110.5°	109.5°
O4	C4	C5	108.7°	109.6°
O4	C4	H4	112.8°	109.6°
C4	O4	HO4	109.5°	114.0°
C4	C5	O5	105.0°	109.5°
C4	C5	C6	117.8°	109.4°
C5	C4	H4	107.7°	109.6°
C4	C5	H5	104.7°	109.5°
O5	C5	C6	100.7°	109.5°
O5	C5	H5	120.8°	109.5°
C5	C6	O6	110.7°	109.4°
C6	C5	H5	108.7°	109.5°
C5	C6	H61	109.1°	109.5°
C5	C6	H62	109.1°	109.5°
O6	C6	H61	109.1°	109.5°
O6	C6	H62	109.0°	109.5°
C6	O6	HO6	109.5°	114.0°
H61	C6	H62	109.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
I	C5A	C6A	N1	177.7°	180.0°
I	C5A	C4A	N3	178.2°	180.0°
I	C5A	C4A	O4A	2.4°	0.1°
I	C5A	C4A	C6A	177.6°	180.0°
I	C5A	C6A	H6	2.4°	0.0°
C2A	N1	C6A	C1	178.2°	179.7°
N1	C2A	O2A	N3	178.2°	180.0°
N1	C2A	N3	C4A	1.3°	0.0°
C2A	N1	C6A	C5A	0.1°	0.0°
C2A	N1	C1	C2	116.9°	115.0°
C2A	N1	C1	O5	121.7°	125.1°
N1	C2A	N3	HN3	178.7°	180.0°
C2A	N1	C6A	H6	179.9°	180.0°
C2A	N1	C1	H1	3.4°	5.0°
C6A	N1	C2A	O2A	178.8°	180.0°
C6A	N1	C2A	N3	0.6°	0.0°
N1	C6A	C5A	C4A	0.1°	0.0°
N1	C6A	C5A	H6	180.0°	180.0°
C6A	N1	C1	C2	61.3°	65.3°
C6A	N1	C1	O5	60.1°	54.7°
C6A	N1	C1	H1	178.4°	174.7°
C1	N1	C2A	O2A	0.6°	0.3°
C1	N1	C2A	N3	177.6°	179.7°
C1	N1	C6A	C5A	178.3°	179.7°
N1	C1	C2	O5	127.4°	120.0°
N1	C1	C2	H1	113.4°	120.1°
N1	C1	O5	H1	113.2°	120.0°
N1	C1	C2	O2	51.3°	62.5°
N1	C1	C2	C3	172.5°	177.6°
N1	C1	O5	C5	156.6°	178.9°
C1	N1	C6A	H6	1.7°	0.3°
N1	C1	C2	H2	66.7°	57.6°
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	179.3°	179.9°
C2A	N3	C4A	C5A	1.3°	0.0°
N3	C4A	O4A	C5A	179.4°	179.9°
N3	C4A	C5A	C6A	0.7°	0.0°
O4A	C4A	C5A	C6A	180.0°	179.9°
O4A	C4A	N3	HN3	0.7°	0.0°
C5A	C4A	N3	HN3	178.7°	180.0°
C4A	C5A	C6A	H6	179.9°	180.0°
C2	C1	O5	H1	121.0°	120.0°
C1	C2	O2	C3	118.4°	119.7°
C1	C2	O2	H2	120.8°	120.1°
C1	C2	C3	H2	120.8°	119.9°
C1	C2	C3	O3	177.6°	176.9°
C1	C2	C3	C4	49.4°	57.0°
C2	C1	O5	C5	77.6°	61.1°
C1	C2	O2	HO2	180.0°	180.0°
C1	C2	C3	H3	66.5°	63.0°
O5	C1	C2	O2	178.6°	177.5°
O5	C1	C2	C3	60.1°	57.6°
C1	O5	C5	C4	73.4°	61.2°
C1	O5	C5	C6	163.8°	178.9°
O5	C1	C2	H2	60.7°	62.4°
C1	O5	C5	H5	44.3°	58.8°
O2	C2	C3	H2	117.9°	120.2°
O2	C2	C3	O3	61.2°	63.3°
O2	C2	C3	C4	170.6°	176.9°
O2	C2	C1	H1	62.2°	57.5°
O2	C2	C3	H3	54.7°	56.9°
C2	C3	O3	C4	129.1°	119.6°
C2	C3	O3	H3	114.7°	120.2°
C2	C3	C4	H3	114.7°	119.9°
C2	C3	C4	O4	165.9°	176.9°
C2	C3	C4	C5	48.0°	56.9°
C3	C2	C1	H1	59.1°	62.4°
C3	C2	O2	HO2	61.6°	60.4°
C2	C3	O3	HO3	180.0°	180.0°
C2	C3	C4	H4	71.6°	63.0°
O3	C3	C4	H3	116.2°	120.2°
O3	C3	C4	O4	65.0°	63.2°
O3	C3	C4	C5	177.0°	176.8°
O3	C3	C2	H2	56.7°	56.9°
O3	C3	C4	H4	57.4°	56.9°
C3	C4	O4	C5	119.5°	119.7°
C3	C4	O4	H4	121.0°	120.1°
C3	C4	C5	H4	121.2°	119.9°
C3	C4	C5	O5	56.1°	57.6°
C3	C4	C5	C6	167.1°	177.6°
C4	C3	C2	H2	71.5°	62.9°
C4	C3	O3	HO3	50.9°	60.4°
C3	C4	O4	HO4	180.0°	60.0°
C3	C4	C5	H5	72.1°	62.4°
O4	C4	C5	H4	122.6°	120.2°
O4	C4	C5	O5	172.3°	177.5°
O4	C4	C5	C6	76.7°	62.5°
O4	C4	C3	H3	51.2°	57.0°
O4	C4	C5	H5	44.1°	57.5°
C4	C5	O5	C6	122.8°	120.0°
C4	C5	O5	H5	117.7°	120.0°
C4	C5	C6	H5	118.7°	120.0°
C4	C5	C6	O6	31.8°	175.0°
C5	C4	C3	H3	66.8°	63.0°
C5	C4	O4	HO4	60.5°	179.7°
C4	C5	C6	H61	151.9°	55.0°
C4	C5	C6	H62	88.1°	65.1°
O5	C5	C6	H5	127.9°	120.0°
O5	C5	C6	O6	81.6°	65.1°
C5	O5	C1	H1	43.5°	58.8°
O5	C5	C4	H4	65.1°	62.3°
O5	C5	C6	H61	38.4°	175.0°
O5	C5	C6	H62	158.5°	54.9°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.0°	120.0°
C6	C5	C4	H4	45.9°	57.7°
C5	C6	H61	H62	119.5°	120.0°
C5	C6	O6	HO6	180.0°	179.9°
O6	C6	C5	H5	150.5°	55.0°
O6	C6	H61	H62	119.4°	120.0°
H1	C1	C2	H2	179.9°	177.7°
H2	C2	O2	HO2	59.2°	59.9°
H2	C2	C3	H3	172.6°	177.1°
H3	C3	O3	HO3	65.3°	59.8°
H3	C3	C4	H4	173.7°	177.1°
H4	C4	O4	HO4	59.0°	60.0°
H4	C4	C5	H5	166.7°	177.7°
H5	C5	C6	H61	89.4°	65.0°
H5	C5	C6	H62	30.6°	175.0°
H61	C6	O6	HO6	60.0°	60.1°
H62	C6	O6	HO6	60.0°	59.9°

Definition date:	2011-08-10
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	3T3H