GYV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
ND3	C1A	sing	1.35Å	1.32Å
C1A	O1A	doub	1.21Å	1.18Å
C1A	O1	sing	1.35Å	1.43Å
O1	C1	sing	1.45Å	1.40Å
C1	O5	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.51Å
O5	C5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.52Å
C5	C4	sing	1.53Å	1.52Å
C6	O6	sing	1.43Å	1.42Å
C4	O4	sing	1.43Å	1.41Å
C4	C3	sing	1.53Å	1.47Å
C3	O3	sing	1.43Å	1.41Å
C3	C2	sing	1.53Å	1.49Å
C2	N2	sing	1.47Å	1.44Å
N2	C10	sing	1.35Å	1.32Å
C10	O10	doub	1.21Å	1.18Å
C10	C11	sing	1.51Å	1.48Å
ND3	HD31	sing	0.97Å	1.00Å
ND3	HD32	sing	0.97Å	1.00Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	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
C4	H4	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
N2	HN2	sing	0.97Å	1.00Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C11	H113	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
ND3	C1A	O1A	125.9°	120.0°
ND3	C1A	O1	121.9°	120.0°
C1A	ND3	HD31	114.7°	120.0°
C1A	ND3	HD32	122.7°	120.0°
O1A	C1A	O1	112.2°	120.0°
C1A	O1	C1	114.0°	117.0°
O1	C1	O5	105.1°	109.5°
O1	C1	C2	109.4°	109.5°
O1	C1	H1	111.9°	109.5°
O5	C1	C2	108.4°	109.4°
C1	O5	C5	122.3°	114.1°
O5	C1	H1	112.9°	109.5°
C1	C2	C3	106.5°	109.2°
C1	C2	N2	109.2°	109.5°
C2	C1	H1	108.9°	109.5°
C1	C2	H2	110.4°	109.5°
O5	C5	C6	108.9°	109.5°
O5	C5	C4	115.4°	109.4°
O5	C5	H5	105.7°	109.4°
C6	C5	C4	109.6°	109.5°
C5	C6	O6	110.0°	109.5°
C6	C5	H5	112.0°	109.5°
C5	C6	H61	109.3°	109.5°
C5	C6	H62	109.2°	109.5°
C5	C4	O4	113.4°	109.5°
C5	C4	C3	106.4°	109.2°
C4	C5	H5	105.1°	109.5°
C5	C4	H4	107.4°	109.6°
O6	C6	H61	109.3°	109.5°
O6	C6	H62	109.2°	109.4°
C6	O6	HO6	109.5°	114.0°
O4	C4	C3	104.4°	109.5°
O4	C4	H4	109.3°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C3	O3	104.8°	109.6°
C4	C3	C2	101.6°	109.0°
C3	C4	H4	116.0°	109.5°
C4	C3	H3	118.8°	109.5°
O3	C3	C2	114.0°	109.5°
O3	C3	H3	107.4°	109.6°
C3	O3	HO3	109.5°	114.0°
C3	C2	N2	105.8°	109.5°
C3	C2	H2	113.6°	109.5°
C2	C3	H3	110.4°	109.6°
C2	N2	C10	121.9°	119.9°
N2	C2	H2	111.1°	109.6°
C2	N2	HN2	119.1°	120.0°
N2	C10	O10	122.3°	120.1°
N2	C10	C11	117.6°	120.0°
C10	N2	HN2	119.1°	120.1°
O10	C10	C11	120.1°	120.0°
C10	C11	H111	109.5°	109.5°
C10	C11	H112	109.5°	109.5°
C10	C11	H113	109.4°	109.5°
HD31	ND3	HD32	122.6°	120.0°
H61	C6	H62	109.9°	109.5°
H111	C11	H112	109.5°	109.5°
H111	C11	H113	109.5°	109.4°
H112	C11	H113	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
ND3	C1A	O1A	O1	180.0°	180.0°
ND3	C1A	O1	C1	179.0°	180.0°
C1A	ND3	HD31	HD32	180.0°	179.7°
O1A	C1A	O1	C1	0.9°	0.0°
O1A	C1A	ND3	HD31	0.0°	0.0°
O1A	C1A	ND3	HD32	180.0°	179.7°
C1A	O1	C1	O5	118.8°	69.9°
C1A	O1	C1	C2	125.0°	170.1°
O1	C1A	ND3	HD31	180.0°	180.0°
O1	C1A	ND3	HD32	0.0°	0.3°
C1A	O1	C1	H1	4.2°	50.1°
O1	C1	O5	C2	117.0°	120.0°
O1	C1	O5	H1	122.3°	120.0°
O1	C1	C2	H1	122.6°	120.0°
O1	C1	O5	C5	86.1°	58.9°
O1	C1	C2	C3	55.7°	62.4°
O1	C1	C2	N2	58.2°	57.5°
O1	C1	C2	H2	179.4°	177.7°
O5	C1	C2	H1	123.2°	120.0°
C1	O5	C5	C6	147.6°	178.9°
C1	O5	C5	C4	23.8°	61.1°
O5	C1	C2	C3	58.5°	57.6°
O5	C1	C2	N2	172.4°	177.5°
O5	C1	C2	H2	65.2°	62.3°
C1	O5	C5	H5	91.9°	58.9°
C2	C1	O5	C5	30.8°	61.2°
C1	C2	C3	C4	80.7°	57.0°
C1	C2	C3	O3	167.2°	176.9°
C1	C2	C3	N2	116.2°	119.9°
C1	C2	C3	H2	121.7°	119.9°
C1	C2	N2	H2	122.0°	120.2°
C1	C2	N2	C10	119.4°	85.0°
C1	C2	C3	H3	46.2°	62.9°
C1	C2	N2	HN2	60.6°	95.0°
O5	C5	C6	C4	127.2°	120.0°
O5	C5	C6	H5	116.6°	120.0°
O5	C5	C4	H5	116.0°	120.0°
O5	C5	C6	O6	102.1°	65.0°
O5	C5	C4	O4	156.7°	177.5°
O5	C5	C4	C3	42.5°	57.6°
C5	O5	C1	H1	151.5°	178.9°
O5	C5	C6	H61	137.9°	175.0°
O5	C5	C6	H62	17.7°	55.0°
O5	C5	C4	H4	82.4°	62.4°
C6	C5	C4	H5	120.6°	120.0°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	119.8°	120.0°
C6	C5	C4	O4	79.9°	62.5°
C6	C5	C4	C3	165.9°	177.6°
C5	C6	H61	H62	119.8°	120.0°
C6	C5	C4	H4	41.0°	57.6°
C5	C6	O6	HO6	31.9°	180.0°
C4	C5	C6	O6	130.7°	175.1°
C5	C4	O4	C3	115.4°	119.7°
C5	C4	O4	H4	119.9°	120.2°
C5	C4	C3	H4	119.4°	120.0°
C5	C4	C3	O3	171.9°	176.8°
C5	C4	C3	C2	69.3°	57.0°
C4	C5	C6	H61	10.8°	55.1°
C4	C5	C6	H62	109.5°	64.9°
C5	C4	O4	HO4	127.3°	60.0°
C5	C4	C3	H3	51.9°	62.9°
O6	C6	C5	H5	14.5°	55.0°
O6	C6	H61	H62	119.8°	120.0°
O4	C4	C3	H4	120.4°	120.1°
O4	C4	C3	O3	51.7°	63.3°
O4	C4	C3	C2	170.5°	176.9°
O4	C4	C5	H5	40.7°	57.5°
O4	C4	C3	H3	68.3°	57.0°
C4	C3	O3	C2	110.1°	119.6°
C4	C3	O3	H3	127.2°	120.2°
C4	C3	C2	H3	126.9°	119.9°
C4	C3	C2	N2	163.1°	176.9°
C4	C3	C2	H2	41.0°	63.0°
C3	C4	C5	H5	73.5°	62.4°
C3	C4	O4	HO4	117.3°	179.7°
C4	C3	O3	HO3	85.8°	60.0°
O3	C3	C2	H3	121.0°	120.3°
O3	C3	C2	N2	51.0°	63.2°
O3	C3	C2	H2	71.1°	56.9°
O3	C3	C4	H4	68.7°	56.9°
C3	C2	N2	H2	123.7°	120.2°
C3	C2	N2	C10	126.3°	155.3°
C3	C2	C1	H1	178.3°	177.6°
C2	C3	C4	H4	50.1°	63.0°
C2	C3	O3	HO3	24.3°	179.6°
C3	C2	N2	HN2	53.7°	24.7°
C2	N2	C10	HN2	180.0°	180.0°
C2	N2	C10	O10	0.4°	0.0°
C2	N2	C10	C11	179.4°	180.0°
N2	C2	C1	H1	64.4°	62.5°
N2	C2	C3	H3	70.0°	57.0°
N2	C10	O10	C11	179.8°	180.0°
C10	N2	C2	H2	2.6°	35.1°
N2	C10	C11	H111	157.7°	60.0°
N2	C10	C11	H112	82.3°	180.0°
N2	C10	C11	H113	37.7°	60.0°
O10	C10	N2	HN2	179.6°	180.0°
O10	C10	C11	H111	22.1°	120.0°
O10	C10	C11	H112	97.9°	0.0°
O10	C10	C11	H113	142.1°	120.0°
C11	C10	N2	HN2	0.6°	0.0°
C10	C11	H111	H112	120.0°	120.1°
C10	C11	H111	H113	120.0°	120.0°
C10	C11	H112	H113	120.0°	120.0°
H1	C1	C2	H2	58.0°	57.7°
H2	C2	C3	H3	167.9°	177.2°
H2	C2	N2	HN2	177.4°	144.8°
H5	C5	C6	H61	105.5°	65.0°
H5	C5	C6	H62	134.3°	175.0°
H5	C5	C4	H4	161.6°	177.7°
H61	C6	O6	HO6	88.1°	60.0°
H62	C6	O6	HO6	151.7°	60.0°
H4	C4	O4	HO4	7.5°	60.2°
H4	C4	C3	H3	171.4°	177.1°
H3	C3	O3	HO3	146.9°	60.2°
H111	C11	H112	H113	120.0°	119.9°

Definition date:	2010-01-26
Last modified:	2020-07-18
Release status:	REL
Processing site:	EBI
Derived from:	2X3T