P4J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C06	N02	sing	0.00Å	1.34Å	Aromatic
C06	C04	doub	0.00Å	1.39Å	Aromatic
N02	C08	doub	0.00Å	1.32Å	Aromatic
C04	N03	sing	0.00Å	1.35Å	Aromatic
C08	N03	sing	0.00Å	1.31Å	Aromatic
N03	C01	sing	0.00Å	1.47Å
O05	V01	sing	0.00Å	1.94Å
O03	C01	sing	0.00Å	1.26Å
O03	C05	sing	0.00Å	1.56Å
C01	C02	sing	0.00Å	1.58Å
O17	V05	sing	0.00Å	1.82Å
O06	V01	sing	0.00Å	1.74Å
V01	O07	sing	0.00Å	1.74Å
V01	O04	sing	0.00Å	1.66Å
O18	V05	sing	0.00Å	1.85Å
V05	O01	sing	0.00Å	1.85Å
V05	O19	sing	0.00Å	1.83Å
C02	O01	sing	0.00Å	1.35Å
C02	C03	sing	0.00Å	1.59Å
O07	V06	sing	0.00Å	1.86Å
C05	C07	sing	0.00Å	1.47Å
C05	C03	sing	0.00Å	1.45Å
O04	C07	sing	0.00Å	1.41Å
O20	V06	sing	0.00Å	1.81Å
C03	O02	sing	0.00Å	1.60Å
V06	O22	sing	0.00Å	1.80Å
V06	O21	sing	0.00Å	1.84Å
O02	V02	sing	0.00Å	2.04Å
O08	V02	sing	0.00Å	1.70Å
V02	O09	sing	0.00Å	1.91Å
V02	O10	sing	0.00Å	1.64Å
O12	V03	sing	0.00Å	1.89Å
O10	V03	sing	0.00Å	1.69Å
V03	O11	sing	0.00Å	1.64Å
V03	O13	sing	0.00Å	1.67Å
O13	V04	sing	0.00Å	1.85Å
O16	V04	sing	0.00Å	1.79Å
O14	V04	sing	0.00Å	1.95Å
V04	O15	sing	0.00Å	1.80Å
C01	H1	sing	0.00Å	1.10Å
C02	H2	sing	0.00Å	1.10Å
C03	H3	sing	0.00Å	1.10Å
C05	H4	sing	0.00Å	1.10Å
C06	H5	sing	0.00Å	1.08Å
C07	H6	sing	0.00Å	1.10Å
C07	H7	sing	0.00Å	1.10Å
C08	H8	sing	0.00Å	1.08Å
C04	H9	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N02	C06	C04	107.5°	90.0°
C06	N02	C08	107.6°	90.0°
N02	C06	H5	126.3°	90.0°
C06	C04	N03	105.9°	90.0°
C04	C06	H5	126.3°	90.0°
C06	C04	H9	127.0°	90.0°
N02	C08	N03	110.5°	90.0°
N02	C08	H8	124.7°	90.0°
C04	N03	C08	108.4°	90.0°
C04	N03	C01	129.9°	90.0°
N03	C04	H9	127.0°	90.0°
C08	N03	C01	121.7°	90.0°
N03	C08	H8	124.8°	90.0°
N03	C01	O03	102.8°	90.0°
N03	C01	C02	122.8°	90.0°
N03	C01	H1	109.4°	90.0°
O05	V01	O06	106.8°	90.0°
O05	V01	O07	127.0°	90.0°
O05	V01	O04	109.4°	90.0°
C01	O03	C05	105.2°	90.0°
O03	C01	C02	100.3°	90.0°
O03	C01	H1	113.0°	90.0°
O03	C05	C07	105.2°	90.0°
O03	C05	C03	106.4°	90.0°
O03	C05	H4	107.7°	90.0°
C01	C02	O01	115.9°	90.0°
C01	C02	C03	102.3°	90.0°
C02	C01	H1	108.1°	90.0°
C01	C02	H2	105.2°	90.0°
O17	V05	O18	110.1°	90.0°
O17	V05	O01	117.0°	90.0°
O17	V05	O19	107.2°	90.0°
O06	V01	O07	104.6°	90.0°
O06	V01	O04	106.5°	90.0°
O07	V01	O04	100.9°	90.0°
V01	O07	V06	105.6°	90.0°
V01	O04	C07	124.9°	90.0°
O18	V05	O01	123.3°	90.0°
O18	V05	O19	108.8°	90.0°
O01	V05	O19	86.2°	90.0°
V05	O01	C02	109.6°	90.0°
O01	C02	C03	119.4°	90.0°
O01	C02	H2	107.8°	90.0°
C02	C03	C05	100.2°	90.0°
C02	C03	O02	120.6°	90.0°
C03	C02	H2	105.1°	90.0°
C02	C03	H3	103.8°	90.0°
O07	V06	O20	93.4°	90.0°
O07	V06	O22	107.8°	90.0°
O07	V06	O21	123.3°	90.0°
C07	C05	C03	118.8°	90.0°
C05	C07	O04	118.0°	90.0°
C07	C05	H4	108.9°	90.0°
C05	C07	H6	107.3°	90.0°
C05	C07	H7	107.3°	90.0°
C05	C03	O02	121.3°	90.0°
C05	C03	H3	105.2°	90.0°
C03	C05	H4	109.2°	90.0°
O04	C07	H6	107.3°	90.0°
O04	C07	H7	107.3°	90.0°
O20	V06	O22	106.8°	90.0°
O20	V06	O21	110.9°	90.0°
C03	O02	V02	123.3°	90.0°
O02	C03	H3	103.7°	90.0°
O22	V06	O21	112.2°	90.0°
O02	V02	O08	109.3°	90.0°
O02	V02	O09	122.8°	90.0°
O02	V02	O10	126.1°	90.0°
O08	V02	O09	98.5°	90.0°
O08	V02	O10	105.2°	90.0°
O09	V02	O10	90.5°	90.0°
V02	O10	V03	122.0°	90.0°
O12	V03	O10	120.3°	90.0°
O12	V03	O11	99.9°	90.0°
O12	V03	O13	113.8°	90.0°
O10	V03	O11	108.8°	90.0°
O10	V03	O13	100.0°	90.0°
O11	V03	O13	114.9°	90.0°
V03	O13	V04	112.5°	90.0°
O13	V04	O16	110.6°	90.0°
O13	V04	O14	91.8°	90.0°
O13	V04	O15	115.6°	90.0°
O16	V04	O14	108.6°	90.0°
O16	V04	O15	116.0°	90.0°
O14	V04	O15	111.6°	90.0°
H6	C07	H7	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N02	C06	C04	H5	180.0°	90.0°
N02	C06	C04	N03	0.1°	90.0°
C06	N02	C08	N03	0.1°	90.0°
C06	N02	C08	H8	179.9°	90.0°
N02	C06	C04	H9	179.9°	90.0°
C04	C06	N02	C08	0.0°	90.0°
C06	C04	N03	H9	180.0°	90.0°
C06	C04	N03	C08	0.2°	90.0°
C06	C04	N03	C01	179.4°	90.0°
N02	C08	N03	C04	0.2°	90.0°
N02	C08	N03	H8	180.0°	90.0°
N02	C08	N03	C01	179.5°	90.0°
C08	N02	C06	H5	180.0°	90.0°
C04	N03	C08	C01	179.3°	90.0°
C04	N03	C01	O03	78.7°	90.0°
C04	N03	C01	C02	32.7°	90.0°
C04	N03	C01	H1	161.0°	90.0°
N03	C04	C06	H5	179.9°	90.0°
C04	N03	C08	H8	179.8°	90.0°
C08	N03	C01	O03	100.5°	90.0°
C08	N03	C01	C02	148.1°	90.0°
C08	N03	C01	H1	19.8°	90.0°
C08	N03	C04	H9	179.8°	90.0°
N03	C01	O03	C02	127.3°	90.0°
N03	C01	O03	H1	117.9°	90.0°
N03	C01	O03	C05	177.2°	90.0°
N03	C01	C02	H1	128.9°	90.0°
N03	C01	C02	O01	70.2°	90.0°
N03	C01	C02	C03	158.2°	90.0°
N03	C01	C02	H2	48.7°	90.0°
C01	N03	C08	H8	0.5°	90.0°
C01	N03	C04	H9	0.6°	90.0°
O05	V01	O06	O07	136.8°	90.0°
O05	V01	O06	O04	116.9°	90.0°
O05	V01	O07	O04	124.7°	90.0°
O05	V01	O07	V06	173.7°	90.0°
O05	V01	O04	C07	26.0°	90.0°
O03	C01	C02	H1	118.5°	90.0°
O03	C01	C02	O01	177.2°	90.0°
O03	C01	C02	C03	45.6°	90.0°
C01	O03	C05	C07	87.9°	90.0°
C01	O03	C05	C03	39.0°	90.0°
O03	C01	C02	H2	64.0°	90.0°
C01	O03	C05	H4	156.1°	90.0°
C05	O03	C01	C02	49.9°	90.0°
O03	C05	C03	C02	6.4°	90.0°
O03	C05	C07	C03	118.9°	90.0°
O03	C05	C07	H4	115.2°	90.0°
O03	C05	C03	H4	116.0°	90.0°
O03	C05	C07	O04	97.8°	90.0°
O03	C05	C03	O02	142.0°	90.0°
C05	O03	C01	H1	64.9°	90.0°
O03	C05	C03	H3	101.1°	90.0°
O03	C05	C07	H6	23.4°	90.0°
O03	C05	C07	H7	140.9°	90.0°
C01	C02	O01	V05	119.4°	90.0°
C01	C02	O01	C03	123.0°	90.0°
C01	C02	O01	H2	117.5°	90.0°
C01	C02	C03	H2	109.7°	90.0°
C01	C02	C03	C05	19.9°	90.0°
C01	C02	C03	O02	116.1°	90.0°
C01	C02	C03	H3	128.5°	90.0°
O17	V05	O18	O01	144.9°	90.0°
O17	V05	O18	O19	117.1°	90.0°
O17	V05	O01	O19	107.3°	90.0°
O17	V05	O01	C02	4.8°	90.0°
O06	V01	O07	O04	110.4°	90.0°
O06	V01	O07	V06	61.4°	90.0°
O06	V01	O04	C07	141.2°	90.0°
O07	V01	O04	C07	109.9°	90.0°
V01	O07	V06	O20	78.6°	90.0°
V01	O07	V06	O22	172.6°	90.0°
V01	O07	V06	O21	39.3°	90.0°
O04	V01	O07	V06	49.0°	90.0°
V01	O04	C07	C05	45.5°	90.0°
V01	O04	C07	H6	75.7°	90.0°
V01	O04	C07	H7	166.7°	90.0°
O18	V05	O01	O19	110.0°	90.0°
O18	V05	O01	C02	147.5°	90.0°
V05	O01	C02	C03	117.6°	90.0°
V05	O01	C02	H2	1.9°	90.0°
O19	V05	O01	C02	102.6°	90.0°
O01	C02	C03	H2	120.9°	90.0°
O01	C02	C03	C05	149.3°	90.0°
O01	C02	C03	O02	13.4°	90.0°
O01	C02	C01	H1	58.7°	90.0°
O01	C02	C03	H3	102.0°	90.0°
C02	C03	C05	C07	111.8°	90.0°
C02	C03	C05	O02	135.5°	90.0°
C02	C03	C05	H3	107.5°	90.0°
C02	C03	O02	H3	115.5°	90.0°
C02	C03	O02	V02	114.7°	90.0°
C03	C02	C01	H1	72.9°	90.0°
C02	C03	C05	H4	122.5°	90.0°
O07	V06	O20	O22	109.7°	90.0°
O07	V06	O20	O21	127.7°	90.0°
O07	V06	O22	O21	139.0°	90.0°
C07	C05	C03	H4	125.7°	90.0°
C05	C07	O04	H6	121.2°	90.0°
C05	C07	O04	H7	121.2°	90.0°
C07	C05	C03	O02	23.7°	90.0°
C07	C05	C03	H3	140.6°	90.0°
C05	C07	H6	H7	116.2°	90.0°
C03	C05	C07	O04	143.2°	90.0°
C05	C03	O02	H3	117.7°	90.0°
C05	C03	O02	V02	118.4°	90.0°
C05	C03	C02	H2	89.8°	90.0°
C03	C05	C07	H6	95.6°	90.0°
C03	C05	C07	H7	22.0°	90.0°
O04	C07	C05	H4	17.4°	90.0°
O04	C07	H6	H7	116.1°	90.0°
O20	V06	O22	O21	121.7°	90.0°
C03	O02	V02	O08	0.1°	90.0°
C03	O02	V02	O09	114.4°	90.0°
C03	O02	V02	O10	126.8°	90.0°
O02	C03	C02	H2	134.3°	90.0°
O02	C03	C05	H4	102.0°	90.0°
O02	V02	O08	O09	129.3°	90.0°
O02	V02	O08	O10	137.9°	90.0°
O02	V02	O09	O10	135.0°	90.0°
O02	V02	O10	V03	106.7°	90.0°
V02	O02	C03	H3	0.7°	90.0°
O08	V02	O09	O10	105.5°	90.0°
O08	V02	O10	V03	21.8°	90.0°
O09	V02	O10	V03	120.7°	90.0°
V02	O10	V03	O12	44.3°	90.0°
V02	O10	V03	O11	69.7°	90.0°
V02	O10	V03	O13	169.5°	90.0°
O12	V03	O10	O11	114.1°	90.0°
O12	V03	O10	O13	125.2°	90.0°
O12	V03	O11	O13	122.1°	90.0°
O12	V03	O13	V04	162.1°	90.0°
O10	V03	O11	O13	111.1°	90.0°
O10	V03	O13	V04	32.6°	90.0°
O11	V03	O13	V04	83.7°	90.0°
V03	O13	V04	O16	70.4°	90.0°
V03	O13	V04	O14	40.2°	90.0°
V03	O13	V04	O15	155.2°	90.0°
O13	V04	O16	O14	99.3°	90.0°
O13	V04	O16	O15	134.1°	90.0°
O13	V04	O14	O15	118.5°	90.0°
O16	V04	O14	O15	129.1°	90.0°
H1	C01	C02	H2	177.5°	90.0°
H2	C02	C03	H3	18.9°	90.0°
H3	C03	C05	H4	15.0°	90.0°
H4	C05	C07	H6	138.6°	90.0°
H4	C05	C07	H7	103.8°	90.0°
H5	C06	C04	H9	0.1°	90.0°

Release date:	2020-04-29
Definition date:	2019-07-30
Last modified:	2020-05-18
Release status:	REL
Processing site:	RCSB
Derived from:	6PY9