Z6G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.42Å
C1	C2	sing	1.53Å	1.49Å
C1	O3	sing	1.43Å	1.44Å
C1	H11	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.54Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.50Å
C3	N1	sing	1.47Å	1.49Å
C3	H31	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.50Å
C4	O2	sing	1.43Å	1.41Å
C4	H41	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.55Å
C5	O3	sing	1.43Å	1.44Å
C5	H51	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H63	sing	1.09Å	1.10Å
O2	H2O	sing	0.97Å	0.95Å
N1	H11N	sing	1.01Å	1.00Å
N1	H12N	sing	1.01Å	1.00Å
N1	HN'3	sing	1.01Å	1.00Å
H1O	O1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	105.2°	109.5°
O1	C1	O3	110.9°	109.5°
O1	C1	H11	110.2°	109.4°
C1	O1	H1O	109.5°	114.0°
C2	C1	O3	111.5°	109.4°
C2	C1	H11	109.2°	109.5°
C1	C2	C3	111.2°	109.2°
C1	C2	H21	109.0°	109.5°
C1	C2	H22	109.0°	109.5°
O3	C1	H11	109.8°	109.5°
C1	O3	C5	113.5°	114.1°
C3	C2	H21	109.0°	109.5°
C3	C2	H22	109.0°	109.5°
C2	C3	C4	110.2°	109.0°
C2	C3	N1	106.6°	109.6°
C2	C3	H31	109.8°	109.5°
H21	C2	H22	109.5°	109.5°
C4	C3	N1	109.2°	109.6°
C4	C3	H31	110.4°	109.5°
C3	C4	C5	110.7°	109.2°
C3	C4	O2	111.6°	109.5°
C3	C4	H41	105.9°	109.5°
N1	C3	H31	110.6°	109.7°
C3	N1	H11N	109.5°	109.5°
C3	N1	H12N	109.5°	109.5°
C3	N1	HN'3	109.5°	109.5°
C5	C4	O2	115.0°	109.5°
C5	C4	H41	105.9°	109.5°
C4	C5	C6	114.4°	109.5°
C4	C5	O3	110.4°	109.4°
C4	C5	H51	108.3°	109.5°
O2	C4	H41	107.1°	109.5°
C4	O2	H2O	109.5°	114.0°
C6	C5	O3	106.8°	109.5°
C6	C5	H51	107.8°	109.5°
C5	C6	H61	109.5°	109.5°
C5	C6	H62	109.5°	109.5°
C5	C6	H63	109.5°	109.5°
O3	C5	H51	109.1°	109.5°
H61	C6	H62	109.4°	109.5°
H61	C6	H63	109.5°	109.4°
H62	C6	H63	109.5°	109.5°
H11N	N1	H12N	109.4°	109.5°
H11N	N1	HN'3	109.4°	109.5°
H12N	N1	HN'3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O3	120.2°	120.0°
O1	C1	C2	H11	118.3°	120.0°
O1	C1	O3	H11	122.0°	120.0°
O1	C1	C2	C3	67.5°	62.4°
O1	C1	C2	H21	172.3°	177.7°
O1	C1	C2	H22	52.8°	57.5°
O1	C1	O3	C5	59.5°	58.8°
C2	C1	O3	H11	121.1°	120.0°
C1	C2	C3	H21	120.3°	119.9°
C1	C2	C3	H22	120.3°	119.9°
C1	C2	H21	H22	119.2°	120.2°
C1	C2	C3	C4	51.9°	57.0°
C1	C2	C3	N1	170.3°	176.8°
C1	C2	C3	H31	69.8°	62.8°
C2	C1	O3	C5	57.3°	61.2°
C2	C1	O1	H1O	180.0°	180.0°
O3	C1	C2	C3	52.8°	57.6°
O3	C1	C2	H21	67.5°	62.3°
O3	C1	C2	H22	173.0°	177.5°
C1	O3	C5	C4	58.9°	61.2°
C1	O3	C5	C6	176.2°	178.9°
C1	O3	C5	H51	60.0°	58.8°
O3	C1	O1	H1O	59.4°	60.1°
H11	C1	C2	C3	174.3°	177.6°
H11	C1	C2	H21	54.0°	57.7°
H11	C1	C2	H22	65.5°	62.5°
H11	C1	O3	C5	178.4°	178.8°
H11	C1	O1	H1O	62.4°	59.9°
C3	C2	H21	H22	119.2°	120.1°
C2	C3	C4	N1	116.8°	119.9°
C2	C3	C4	H31	121.5°	119.8°
C2	C3	N1	H31	119.3°	120.2°
C2	C3	C4	C5	53.8°	57.0°
C2	C3	C4	O2	176.8°	176.9°
C2	C3	C4	H41	60.7°	63.0°
C2	C3	N1	H11N	180.0°	60.0°
C2	C3	N1	H12N	60.0°	180.0°
C2	C3	N1	HN'3	60.0°	60.0°
H21	C2	C3	C4	68.3°	63.0°
H21	C2	C3	N1	50.0°	56.9°
H21	C2	C3	H31	169.9°	177.2°
H22	C2	C3	C4	172.2°	176.9°
H22	C2	C3	N1	69.4°	63.2°
H22	C2	C3	H31	50.4°	57.1°
C4	C3	N1	H31	121.6°	120.2°
C3	C4	C5	O2	127.6°	119.9°
C3	C4	C5	H41	114.4°	119.9°
C3	C4	O2	H41	115.5°	120.1°
C3	C4	C5	C6	177.4°	177.6°
C3	C4	C5	O3	57.0°	57.6°
C3	C4	C5	H51	62.4°	62.4°
C3	C4	O2	H2O	180.0°	180.0°
C4	C3	N1	H11N	60.9°	179.5°
C4	C3	N1	H12N	59.1°	60.5°
C4	C3	N1	HN'3	179.1°	59.5°
N1	C3	C4	C5	170.6°	176.9°
N1	C3	C4	O2	60.0°	63.2°
N1	C3	C4	H41	56.1°	56.9°
C3	N1	H11N	H12N	120.0°	120.0°
C3	N1	H11N	HN'3	120.0°	120.0°
C3	N1	H12N	HN'3	120.0°	120.0°
H31	C3	C4	C5	67.7°	62.8°
H31	C3	C4	O2	61.7°	57.1°
H31	C3	C4	H41	177.9°	177.2°
H31	C3	N1	H11N	60.7°	60.2°
H31	C3	N1	H12N	179.3°	59.8°
H31	C3	N1	HN'3	59.3°	179.8°
C5	C4	O2	H41	117.4°	120.2°
C4	C5	C6	O3	122.5°	119.9°
C4	C5	C6	H51	120.5°	120.0°
C4	C5	O3	H51	118.9°	120.0°
C4	C5	C6	H61	180.0°	60.0°
C4	C5	C6	H62	60.0°	180.0°
C4	C5	C6	H63	60.0°	60.0°
C5	C4	O2	H2O	52.9°	60.3°
O2	C4	C5	C6	55.0°	62.5°
O2	C4	C5	O3	175.5°	177.5°
O2	C4	C5	H51	65.2°	57.5°
H41	C4	C5	C6	63.0°	57.7°
H41	C4	C5	O3	57.5°	62.3°
H41	C4	C5	H51	176.8°	177.7°
H41	C4	O2	H2O	64.5°	59.9°
C6	C5	O3	H51	116.2°	120.0°
C5	C6	H61	H62	120.0°	120.0°
C5	C6	H61	H63	120.0°	120.0°
C5	C6	H62	H63	120.0°	120.0°
O3	C5	C6	H61	57.5°	179.9°
O3	C5	C6	H62	62.5°	60.1°
O3	C5	C6	H63	177.5°	60.0°
H51	C5	C6	H61	59.6°	60.0°
H51	C5	C6	H62	179.5°	60.0°
H51	C5	C6	H63	60.5°	180.0°
H61	C6	H62	H63	120.0°	120.0°
H11N	N1	H12N	HN'3	120.0°	120.0°

Release date:	2022-12-07
Definition date:	2012-12-17
Last modified:	2022-12-02
Release status:	REL
Processing site:	RCSB
Derived from:	1D54