VU4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N01	C08	sing	1.47Å	1.45Å
C08	C07	sing	1.53Å	1.52Å
C07	C04	sing	1.51Å	1.52Å
C05	C04	doub	1.38Å	1.39Å	Aromatic
C05	C06	sing	1.38Å	1.38Å	Aromatic
C04	C03	sing	1.38Å	1.38Å	Aromatic
C06	C01	doub	1.40Å	1.38Å	Aromatic
C03	C02	doub	1.38Å	1.38Å	Aromatic
C01	C02	sing	1.40Å	1.38Å	Aromatic
C01	CH	sing	1.48Å	1.52Å
CH	OH	doub	1.21Å	1.19Å
C02	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C05	H4	sing	1.08Å	1.08Å
C06	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.09Å	1.10Å
C07	H7	sing	1.09Å	1.10Å
C08	H8	sing	1.09Å	1.10Å
C08	H9	sing	1.09Å	1.10Å
N01	H10	sing	1.01Å	1.00Å
N01	H11	sing	1.01Å	1.00Å
CH	O1	sing	1.35Å	1.45Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C08	C07	109.2°	109.5°
N01	C08	H8	109.5°	109.5°
N01	C08	H9	109.6°	109.4°
C08	N01	H10	109.5°	111.0°
C08	N01	H11	109.5°	111.1°
C08	C07	C04	108.1°	109.5°
C08	C07	H6	109.8°	109.4°
C08	C07	H7	109.8°	109.5°
C07	C08	H8	109.5°	109.4°
C07	C08	H9	109.5°	109.5°
C07	C04	C05	119.7°	119.9°
C07	C04	C03	119.6°	119.8°
C04	C07	H6	109.8°	109.5°
C04	C07	H7	109.8°	109.5°
C04	C05	C06	119.7°	120.2°
C05	C04	C03	120.7°	120.3°
C04	C05	H4	120.2°	119.9°
C05	C06	C01	119.4°	119.8°
C06	C05	H4	120.2°	119.9°
C05	C06	H5	120.2°	120.1°
C04	C03	C02	119.7°	120.2°
C04	C03	H3	120.1°	119.9°
C06	C01	C02	120.9°	119.7°
C06	C01	CH	119.8°	120.2°
C01	C06	H5	120.3°	120.1°
C03	C02	C01	119.6°	119.9°
C03	C02	H2	120.2°	120.1°
C02	C03	H3	120.2°	119.9°
C02	C01	CH	119.3°	120.2°
C01	C02	H2	120.2°	120.1°
C01	CH	OH	119.4°	120.0°
C01	CH	O1	119.7°	120.0°
OH	CH	O1	120.9°	120.0°
H6	C07	H7	109.5°	109.5°
H8	C08	H9	109.5°	109.4°
H10	N01	H11	109.5°	111.0°
CH	O1	H1	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C08	C07	H8	120.0°	120.0°
N01	C08	C07	H9	120.0°	120.0°
N01	C08	C07	C04	151.1°	180.0°
N01	C08	C07	H6	31.3°	60.0°
N01	C08	C07	H7	89.1°	60.0°
N01	C08	H8	H9	120.1°	120.0°
C08	N01	H10	H11	120.0°	124.0°
C08	C07	C04	H6	119.8°	120.0°
C08	C07	C04	H7	119.8°	120.0°
C08	C07	C04	C05	109.6°	90.0°
C08	C07	C04	C03	70.3°	90.0°
C08	C07	H6	H7	120.6°	120.0°
C07	C08	H8	H9	120.1°	120.0°
C07	C08	N01	H10	180.0°	56.0°
C07	C08	N01	H11	60.0°	180.0°
C07	C04	C05	C03	179.9°	180.0°
C07	C04	C05	C06	179.9°	179.8°
C07	C04	C03	C02	179.8°	180.0°
C07	C04	C03	H3	0.2°	0.0°
C07	C04	C05	H4	0.1°	0.0°
C04	C07	H6	H7	120.7°	120.0°
C04	C07	C08	H8	89.0°	60.0°
C04	C07	C08	H9	31.1°	60.0°
C04	C05	C06	H4	180.0°	179.8°
C04	C05	C06	C01	0.1°	0.5°
C05	C04	C03	C02	0.1°	0.0°
C05	C04	C03	H3	179.9°	180.0°
C04	C05	C06	H5	179.9°	180.0°
C05	C04	C07	H6	10.2°	30.0°
C05	C04	C07	H7	130.7°	150.0°
C06	C05	C04	C03	0.0°	0.2°
C05	C06	C01	H5	180.0°	179.5°
C05	C06	C01	C02	0.3°	0.6°
C05	C06	C01	CH	179.8°	179.7°
C04	C03	C02	H3	180.0°	180.0°
C04	C03	C02	C01	0.3°	0.0°
C04	C03	C02	H2	179.7°	180.0°
C03	C04	C05	H4	180.0°	180.0°
C03	C04	C07	H6	169.9°	150.0°
C03	C04	C07	H7	49.4°	30.0°
C06	C01	C02	C03	0.4°	0.3°
C06	C01	C02	CH	179.5°	179.7°
C06	C01	CH	OH	170.2°	179.7°
C06	C01	C02	H2	179.6°	179.7°
C01	C06	C05	H4	179.9°	179.7°
C06	C01	CH	O1	10.4°	0.0°
C03	C02	C01	H2	180.0°	180.0°
C03	C02	C01	CH	179.9°	180.0°
C02	C01	CH	OH	10.4°	0.0°
C01	C02	C03	H3	179.7°	180.0°
C02	C01	C06	H5	179.7°	180.0°
C02	C01	CH	O1	169.1°	179.7°
C01	CH	OH	O1	179.5°	179.7°
CH	C01	C02	H2	0.1°	0.0°
CH	C01	C06	H5	0.2°	0.3°
C01	CH	O1	H1	179.5°	179.7°
OH	CH	O1	H1	0.0°	0.0°
H2	C02	C03	H3	0.3°	0.0°
H4	C05	C06	H5	0.1°	0.2°
H6	C07	C08	H8	151.3°	NaN°
H6	C07	C08	H9	88.7°	60.0°
H7	C07	C08	H8	30.8°	60.0°
H7	C07	C08	H9	150.9°	180.0°
H8	C08	N01	H10	60.1°	64.0°
H8	C08	N01	H11	59.9°	60.0°
H9	C08	N01	H10	60.0°	176.1°
H9	C08	N01	H11	180.0°	60.0°

Release date:	2021-10-06
Definition date:	2020-09-14
Last modified:	2021-10-01
Release status:	REL
Processing site:	RCSB
Derived from:	7JZR