XXX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3A	C4A	sing	1.43Å	1.45Å
O3A	HO3A	sing	0.97Å	0.95Å
C4A	C5A	sing	1.53Å	1.58Å
C4A	C9	sing	1.53Å	1.58Å
C4A	H4A	sing	1.09Å	1.11Å
C5A	O4A	sing	1.43Å	1.43Å
C5A	C6A	sing	1.53Å	1.51Å
C5A	H5A	sing	1.09Å	1.11Å
O4A	HO4A	sing	0.97Å	0.95Å
C6A	N1	sing	1.47Å	1.50Å
C6A	C7	sing	1.53Å	1.55Å
C6A	H6	sing	1.09Å	1.12Å
N1	HN11	sing	1.01Å	1.02Å
N1	HN12	sing	1.01Å	1.02Å
C7	C8	sing	1.53Å	1.56Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C8	N2	sing	1.47Å	1.52Å
C8	C9	sing	1.53Å	1.50Å
C8	H8	sing	1.09Å	1.12Å
N2	HN21	sing	1.01Å	1.02Å
N2	HN22	sing	1.01Å	1.02Å
C9	O1	sing	1.43Å	1.37Å
C9	H9	sing	1.09Å	1.11Å
O1	C1	sing	1.43Å	1.39Å
C1	O5	sing	1.43Å	1.53Å
C1	C2	sing	1.53Å	1.55Å
C1	H1	sing	1.09Å	1.11Å
O5	C5	sing	1.43Å	1.50Å
C5	C6	sing	1.53Å	1.54Å
C5	C4	sing	1.53Å	1.50Å
C5	H5	sing	1.09Å	1.12Å
C6	N3	sing	1.47Å	1.49Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
N3	HN31	sing	1.01Å	1.02Å
N3	HN32	sing	1.01Å	1.02Å
C4	O4	sing	1.43Å	1.39Å
C4	C3	sing	1.53Å	1.50Å
C4	H4	sing	1.09Å	1.11Å
O4	HO4	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.43Å
C3	C2	sing	1.53Å	1.49Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C2	N4	sing	1.47Å	1.51Å
C2	H2	sing	1.09Å	1.12Å
N4	HN41	sing	1.01Å	1.02Å
N4	HN42	sing	1.01Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4A	O3A	HO3A	109.4°	106.8°
O3A	C4A	C5A	109.4°	109.5°
O3A	C4A	C9	110.1°	109.5°
O3A	C4A	H4A	108.9°	109.5°
C5A	C4A	C9	108.8°	109.4°
C5A	C4A	H4A	110.2°	109.5°
C4A	C5A	O4A	111.6°	109.4°
C4A	C5A	C6A	110.6°	109.5°
C4A	C5A	H5A	106.7°	109.5°
C9	C4A	H4A	109.5°	109.4°
C4A	C9	C8	105.2°	109.5°
C4A	C9	O1	107.0°	109.5°
C4A	C9	H9	114.3°	109.4°
O4A	C5A	C6A	107.9°	109.5°
O4A	C5A	H5A	109.5°	109.5°
C5A	O4A	HO4A	111.6°	106.8°
C6A	C5A	H5A	110.6°	109.4°
C5A	C6A	N1	109.7°	109.5°
C5A	C6A	C7	109.2°	109.5°
C5A	C6A	H6	109.9°	109.5°
N1	C6A	C7	110.7°	109.5°
N1	C6A	H6	108.4°	109.4°
C6A	N1	HN11	112.1°	106.7°
C6A	N1	HN12	109.7°	106.7°
C7	C6A	H6	109.0°	109.5°
C6A	C7	C8	108.1°	109.5°
C6A	C7	H71	112.7°	109.5°
C6A	C7	H72	112.7°	109.5°
HN11	N1	HN12	112.1°	106.7°
C8	C7	H71	112.7°	109.4°
C8	C7	H72	112.7°	109.4°
C7	C8	N2	105.5°	109.5°
C7	C8	C9	110.7°	109.5°
C7	C8	H8	110.5°	109.4°
H71	C7	H72	97.8°	109.5°
N2	C8	C9	107.0°	109.5°
N2	C8	H8	114.0°	109.5°
C8	N2	HN21	113.7°	106.7°
C8	N2	HN22	105.5°	106.7°
C9	C8	H8	109.1°	109.5°
C8	C9	O1	110.9°	109.5°
C8	C9	H9	110.6°	109.4°
HN21	N2	HN22	113.7°	106.7°
O1	C9	H9	108.9°	109.5°
C9	O1	C1	121.0°	106.8°
O1	C1	O5	104.1°	109.4°
O1	C1	C2	114.1°	109.4°
O1	C1	H1	108.9°	109.4°
O5	C1	C2	105.9°	109.8°
O5	C1	H1	116.8°	109.4°
C1	O5	C5	113.1°	107.6°
C2	C1	H1	107.3°	109.4°
C1	C2	C3	112.3°	109.0°
C1	C2	N4	108.9°	109.5°
C1	C2	H2	107.9°	109.5°
O5	C5	C6	110.6°	109.4°
O5	C5	C4	108.7°	109.7°
O5	C5	H5	109.1°	109.4°
C6	C5	C4	108.9°	109.4°
C6	C5	H5	108.8°	109.5°
C5	C6	N3	110.6°	109.5°
C5	C6	H61	111.8°	109.5°
C5	C6	H62	111.8°	109.5°
C4	C5	H5	110.7°	109.4°
C5	C4	O4	108.6°	109.5°
C5	C4	C3	111.5°	109.1°
C5	C4	H4	108.7°	109.7°
N3	C6	H61	111.8°	109.5°
N3	C6	H62	111.8°	109.4°
C6	N3	HN31	111.8°	106.7°
C6	N3	HN32	110.6°	106.7°
H61	C6	H62	98.6°	109.4°
HN31	N3	HN32	111.8°	106.7°
O4	C4	C3	109.3°	109.5°
O4	C4	H4	110.8°	109.5°
C4	O4	HO4	108.6°	106.8°
C3	C4	H4	107.9°	109.6°
C4	C3	O3	110.3°	109.8°
C4	C3	C2	108.9°	108.6°
C4	C3	H3	109.2°	109.7°
O3	C3	C2	109.1°	109.6°
O3	C3	H3	109.0°	109.6°
C3	O3	HO3	110.3°	106.8°
C2	C3	H3	110.3°	109.6°
C3	C2	N4	109.4°	109.6°
C3	C2	H2	107.4°	109.6°
N4	C2	H2	110.9°	109.6°
C2	N4	HN41	112.4°	106.7°
C2	N4	HN42	108.9°	106.7°
HN41	N4	HN42	112.4°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3A	C4A	C5A	C9	120.3°	120.0°
O3A	C4A	C5A	H4A	119.7°	120.1°
O3A	C4A	C9	H4A	119.7°	120.0°
O3A	C4A	C5A	O4A	59.3°	60.1°
O3A	C4A	C5A	C6A	179.4°	180.0°
O3A	C4A	C5A	H5A	60.3°	60.0°
O3A	C4A	C9	C8	178.4°	180.0°
O3A	C4A	C9	O1	60.4°	60.0°
O3A	C4A	C9	H9	60.2°	60.0°
HO3A	O3A	C4A	C5A	180.0°	60.0°
HO3A	O3A	C4A	C9	60.5°	180.0°
HO3A	O3A	C4A	H4A	59.5°	60.0°
C5A	C4A	C9	H4A	120.5°	120.0°
C4A	C5A	O4A	C6A	121.7°	120.0°
C4A	C5A	O4A	H5A	117.9°	120.0°
C4A	C5A	C6A	H5A	118.0°	120.1°
C4A	C5A	O4A	HO4A	180.0°	60.1°
C4A	C5A	C6A	N1	179.8°	180.0°
C4A	C5A	C6A	C7	58.4°	60.0°
C4A	C5A	C6A	H6	61.1°	60.0°
C5A	C4A	C9	C8	61.8°	60.0°
C5A	C4A	C9	O1	179.8°	180.0°
C5A	C4A	C9	H9	59.6°	60.0°
C9	C4A	C5A	O4A	179.6°	180.0°
C9	C4A	C5A	C6A	60.3°	60.0°
C9	C4A	C5A	H5A	60.0°	60.0°
C4A	C9	C8	C7	65.3°	60.0°
C4A	C9	C8	N2	179.8°	180.0°
C4A	C9	C8	O1	115.3°	120.0°
C4A	C9	C8	H9	123.8°	120.0°
C4A	C9	C8	H8	56.4°	60.0°
C4A	C9	O1	H9	123.9°	120.0°
C4A	C9	O1	C1	68.6°	91.7°
H4A	C4A	C5A	O4A	60.3°	60.0°
H4A	C4A	C5A	C6A	59.7°	60.0°
H4A	C4A	C5A	H5A	179.9°	180.0°
H4A	C4A	C9	C8	58.7°	60.0°
H4A	C4A	C9	O1	59.3°	60.0°
H4A	C4A	C9	H9	179.9°	180.0°
O4A	C5A	C6A	H5A	119.7°	120.0°
O4A	C5A	C6A	N1	57.9°	60.0°
O4A	C5A	C6A	C7	179.3°	180.0°
O4A	C5A	C6A	H6	61.2°	60.0°
C6A	C5A	O4A	HO4A	58.3°	180.0°
C5A	C6A	N1	C7	120.5°	120.0°
C5A	C6A	N1	H6	120.0°	120.0°
C5A	C6A	C7	H6	120.1°	120.0°
C5A	C6A	N1	HN11	54.7°	180.0°
C5A	C6A	N1	HN12	180.0°	66.2°
C5A	C6A	C7	C8	59.0°	60.0°
C5A	C6A	C7	H71	175.7°	180.0°
C5A	C6A	C7	H72	66.2°	60.0°
H5A	C5A	O4A	HO4A	62.1°	60.0°
H5A	C5A	C6A	N1	61.8°	60.0°
H5A	C5A	C6A	C7	59.6°	60.0°
H5A	C5A	C6A	H6	179.1°	180.0°
N1	C6A	C7	H6	119.1°	120.0°
C6A	N1	HN11	HN12	123.9°	113.8°
N1	C6A	C7	C8	179.8°	180.0°
N1	C6A	C7	H71	54.9°	60.0°
N1	C6A	C7	H72	54.6°	60.0°
C7	C6A	N1	HN11	175.2°	60.0°
C7	C6A	N1	HN12	59.5°	53.8°
C6A	C7	C8	H71	125.2°	120.0°
C6A	C7	C8	H72	125.3°	120.0°
C6A	C7	H71	H72	118.7°	120.0°
C6A	C7	C8	N2	179.6°	180.0°
C6A	C7	C8	C9	65.0°	60.0°
C6A	C7	C8	H8	55.9°	60.0°
H6	C6A	N1	HN11	65.3°	60.0°
H6	C6A	N1	HN12	60.0°	173.8°
H6	C6A	C7	C8	61.1°	60.0°
H6	C6A	C7	H71	64.2°	60.0°
H6	C6A	C7	H72	173.7°	180.0°
C8	C7	H71	H72	118.6°	119.9°
C7	C8	N2	C9	117.9°	120.0°
C7	C8	N2	H8	121.4°	120.0°
C7	C8	C9	H8	121.8°	120.0°
C7	C8	N2	HN21	54.8°	52.8°
C7	C8	N2	HN22	180.0°	166.6°
C7	C8	C9	O1	179.3°	180.0°
C7	C8	C9	H9	58.5°	60.0°
H71	C7	C8	N2	54.3°	60.0°
H71	C7	C8	C9	169.7°	180.0°
H71	C7	C8	H8	69.3°	60.0°
H72	C7	C8	N2	55.2°	60.0°
H72	C7	C8	C9	60.3°	60.0°
H72	C7	C8	H8	178.8°	180.0°
N2	C8	C9	H8	123.7°	120.0°
C8	N2	HN21	HN22	120.8°	113.8°
N2	C8	C9	O1	64.8°	60.0°
N2	C8	C9	H9	56.0°	60.1°
C9	C8	N2	HN21	172.7°	172.9°
C9	C8	N2	HN22	62.1°	73.3°
C8	C9	O1	H9	121.9°	120.0°
C8	C9	O1	C1	177.2°	148.3°
H8	C8	N2	HN21	66.7°	67.1°
H8	C8	N2	HN22	58.6°	46.7°
H8	C8	C9	O1	58.9°	60.0°
H8	C8	C9	H9	179.8°	180.0°
C9	O1	C1	O5	95.1°	74.7°
C9	O1	C1	C2	149.9°	164.9°
C9	O1	C1	H1	30.1°	45.2°
H9	C9	O1	C1	55.3°	28.3°
O1	C1	O5	C2	120.6°	120.0°
O1	C1	O5	H1	120.1°	119.9°
O1	C1	C2	H1	120.7°	119.8°
O1	C1	O5	C5	63.4°	52.5°
O1	C1	C2	C3	56.8°	58.8°
O1	C1	C2	N4	64.6°	61.1°
O1	C1	C2	H2	175.0°	178.7°
O5	C1	C2	H1	125.4°	120.1°
C1	O5	C5	C6	178.9°	172.3°
C1	O5	C5	C4	59.3°	67.6°
C1	O5	C5	H5	61.5°	52.4°
O5	C1	C2	C3	57.1°	61.3°
O5	C1	C2	N4	178.4°	178.8°
O5	C1	C2	H2	61.1°	58.6°
C2	C1	O5	C5	57.1°	67.6°
C1	C2	C3	C4	59.3°	53.7°
C1	C2	C3	O3	179.7°	173.6°
C1	C2	C3	N4	121.1°	119.9°
C1	C2	C3	H2	118.5°	119.8°
C1	C2	C3	H3	60.5°	66.1°
C1	C2	N4	H2	118.6°	120.2°
C1	C2	N4	HN41	54.7°	60.0°
C1	C2	N4	HN42	180.0°	173.8°
H1	C1	O5	C5	176.5°	172.3°
H1	C1	C2	C3	177.5°	178.6°
H1	C1	C2	N4	56.2°	58.7°
H1	C1	C2	H2	64.3°	61.5°
O5	C5	C6	C4	119.4°	120.3°
O5	C5	C6	H5	119.8°	119.8°
O5	C5	C4	H5	119.8°	120.0°
O5	C5	C6	N3	60.3°	64.8°
O5	C5	C6	H61	65.0°	55.2°
O5	C5	C6	H62	174.5°	175.2°
O5	C5	C4	O4	179.4°	178.8°
O5	C5	C4	C3	58.9°	61.3°
O5	C5	C4	H4	59.9°	58.6°
C6	C5	C4	H5	119.6°	119.9°
C5	C6	N3	H61	125.3°	120.0°
C5	C6	N3	H62	125.2°	120.0°
C5	C6	H61	H62	117.7°	120.0°
C5	C6	N3	HN31	54.7°	66.3°
C5	C6	N3	HN32	180.0°	180.0°
C6	C5	C4	O4	60.0°	58.7°
C6	C5	C4	C3	179.5°	178.6°
C6	C5	C4	H4	60.6°	61.5°
C4	C5	C6	N3	179.7°	174.9°
C4	C5	C6	H61	54.4°	65.1°
C4	C5	C6	H62	55.0°	54.9°
C5	C4	O4	C3	121.8°	119.6°
C5	C4	O4	H4	119.3°	120.3°
C5	C4	C3	H4	119.3°	120.0°
C5	C4	O4	HO4	180.0°	179.5°
C5	C4	C3	O3	179.2°	173.7°
C5	C4	C3	C2	59.5°	53.8°
C5	C4	C3	H3	61.1°	65.9°
H5	C5	C6	N3	59.5°	55.0°
H5	C5	C6	H61	175.3°	175.0°
H5	C5	C6	H62	65.8°	65.0°
H5	C5	C4	O4	59.6°	61.2°
H5	C5	C4	C3	60.9°	58.6°
H5	C5	C4	H4	179.7°	178.6°
N3	C6	H61	H62	117.7°	120.0°
C6	N3	HN31	HN32	124.6°	113.7°
H61	C6	N3	HN31	180.0°	173.7°
H61	C6	N3	HN32	54.7°	60.0°
H62	C6	N3	HN31	70.5°	53.8°
H62	C6	N3	HN32	54.8°	60.0°
O4	C4	C3	H4	120.6°	120.1°
O4	C4	C3	O3	60.7°	66.5°
O4	C4	C3	C2	179.5°	173.7°
O4	C4	C3	H3	59.0°	53.9°
C3	C4	O4	HO4	58.2°	60.0°
C4	C3	O3	C2	119.6°	119.2°
C4	C3	O3	H3	119.9°	120.5°
C4	C3	C2	H3	119.9°	119.8°
C4	C3	O3	HO3	180.0°	60.8°
C4	C3	C2	N4	179.6°	173.6°
C4	C3	C2	H2	59.2°	66.1°
H4	C4	O4	HO4	60.7°	60.2°
H4	C4	C3	O3	59.9°	53.6°
H4	C4	C3	C2	59.8°	66.2°
H4	C4	C3	H3	179.6°	174.0°
O3	C3	C2	H3	119.7°	120.3°
O3	C3	C2	N4	59.2°	66.5°
O3	C3	C2	H2	61.3°	53.8°
C2	C3	O3	HO3	60.4°	180.0°
C3	C2	N4	H2	118.3°	120.3°
C3	C2	N4	HN41	177.8°	179.6°
C3	C2	N4	HN42	56.9°	66.6°
H3	C3	O3	HO3	60.2°	59.7°
H3	C3	C2	N4	60.5°	53.8°
H3	C3	C2	H2	179.0°	174.1°
C2	N4	HN41	HN42	123.4°	113.8°
H2	C2	N4	HN41	63.9°	60.1°
H2	C2	N4	HN42	61.4°	53.6°

Definition date:	2005-11-03
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2ET8