WN4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.51Å
C02	C03	doub	1.38Å	1.37Å	Aromatic
C02	N15	sing	1.32Å	1.31Å	Aromatic
C03	C04	sing	1.39Å	1.39Å	Aromatic
N15	C06	doub	1.32Å	1.31Å	Aromatic
C04	C05	doub	1.38Å	1.39Å	Aromatic
C06	N07	sing	1.39Å	1.44Å
C06	C05	sing	1.39Å	1.38Å	Aromatic
N07	C08	sing	1.35Å	1.45Å
C08	C10	sing	1.51Å	1.53Å
C08	O09	doub	1.21Å	1.18Å
C10	C11	sing	1.54Å	1.60Å
C10	N14	sing	1.49Å	1.32Å
C11	C12	sing	1.54Å	1.51Å
N14	C13	sing	1.49Å	1.63Å
C12	C13	sing	1.54Å	1.38Å
C10	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C03	H7	sing	1.08Å	1.08Å
C04	H8	sing	1.08Å	1.08Å
C05	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
N07	H14	sing	0.97Å	1.00Å
N14	H15	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	121.2°	119.6°
C01	C02	N15	117.4°	119.6°
C02	C01	H4	109.5°	109.5°
C02	C01	H5	109.5°	109.5°
C02	C01	H6	109.5°	109.4°
C03	C02	N15	121.4°	120.8°
C02	C03	C04	119.0°	119.3°
C02	C03	H7	120.5°	120.3°
C02	N15	C06	121.7°	121.6°
C03	C04	C05	118.0°	118.5°
C04	C03	H7	120.5°	120.4°
C03	C04	H8	121.0°	120.7°
N15	C06	N07	114.6°	119.7°
N15	C06	C05	120.8°	120.6°
C04	C05	C06	119.1°	119.1°
C05	C04	H8	121.0°	120.8°
C04	C05	H9	120.5°	120.5°
N07	C06	C05	124.3°	119.7°
C06	N07	C08	128.0°	120.0°
C06	N07	H14	116.0°	120.0°
C06	C05	H9	120.5°	120.5°
N07	C08	C10	114.5°	120.0°
N07	C08	O09	125.9°	120.0°
C08	N07	H14	116.0°	120.0°
C10	C08	O09	119.6°	120.0°
C08	C10	C11	103.6°	110.4°
C08	C10	N14	112.6°	110.4°
C08	C10	H1	110.1°	110.5°
C11	C10	N14	107.3°	104.6°
C10	C11	C12	102.2°	105.0°
C11	C10	H1	109.1°	110.4°
C10	C11	H10	111.2°	110.3°
C10	C11	H11	111.3°	110.3°
C10	N14	C13	106.4°	104.3°
N14	C10	H1	113.4°	110.4°
C10	N14	H15	110.2°	111.0°
C11	C12	C13	104.5°	105.1°
C12	C11	H10	111.3°	110.3°
C12	C11	H11	111.2°	110.4°
C11	C12	H12	110.7°	110.3°
C11	C12	H13	110.7°	110.4°
N14	C13	C12	107.3°	104.6°
N14	C13	H2	110.0°	110.4°
N14	C13	H3	110.0°	110.5°
C13	N14	H15	110.2°	111.0°
C12	C13	H2	110.0°	110.4°
C12	C13	H3	110.0°	110.4°
C13	C12	H12	110.7°	110.3°
C13	C12	H13	110.7°	110.3°
H2	C13	H3	109.5°	110.4°
H4	C01	H5	109.5°	109.5°
H4	C01	H6	109.5°	109.5°
H5	C01	H6	109.4°	109.5°
H10	C11	H11	109.5°	110.4°
H12	C12	H13	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	N15	179.8°	179.8°
C01	C02	C03	C04	179.5°	180.0°
C01	C02	N15	C06	178.8°	179.7°
C02	C01	H4	H5	120.0°	120.0°
C02	C01	H4	H6	120.0°	120.0°
C02	C01	H5	H6	120.0°	120.0°
C01	C02	C03	H7	0.5°	0.0°
C02	C03	C04	H7	180.0°	180.0°
C03	C02	N15	C06	1.4°	0.5°
C02	C03	C04	C05	1.4°	0.1°
C03	C02	C01	H4	179.8°	90.0°
C03	C02	C01	H5	59.8°	150.1°
C03	C02	C01	H6	60.2°	30.0°
C02	C03	C04	H8	178.6°	180.0°
N15	C02	C03	C04	0.7°	0.2°
C02	N15	C06	N07	176.5°	179.8°
C02	N15	C06	C05	2.8°	0.5°
N15	C02	C01	H4	0.0°	90.2°
N15	C02	C01	H5	120.0°	29.8°
N15	C02	C01	H6	120.0°	149.8°
N15	C02	C03	H7	179.3°	179.8°
C03	C04	C05	H8	180.0°	179.9°
C03	C04	C05	C06	2.8°	0.0°
C03	C04	C05	H9	177.3°	180.0°
N15	C06	C05	C04	3.5°	0.2°
N15	C06	N07	C05	173.5°	179.8°
N15	C06	N07	C08	176.2°	4.8°
N15	C06	C05	H9	176.5°	179.7°
N15	C06	N07	H14	3.8°	175.2°
C04	C05	C06	N07	176.6°	180.0°
C04	C05	C06	H9	180.0°	180.0°
C05	C04	C03	H7	178.6°	180.0°
C06	N07	C08	H14	180.0°	179.9°
C06	N07	C08	C10	175.1°	174.9°
C06	N07	C08	O09	5.6°	5.1°
N07	C06	C05	H9	3.4°	0.0°
C05	C06	N07	C08	10.3°	174.9°
C06	C05	C04	H8	177.2°	180.0°
C05	C06	N07	H14	169.7°	5.0°
N07	C08	C10	O09	179.4°	180.0°
N07	C08	C10	C11	85.8°	80.0°
N07	C08	C10	N14	158.5°	164.8°
N07	C08	C10	H1	30.8°	42.4°
C08	C10	C11	N14	119.4°	118.8°
C08	C10	C11	H1	117.3°	122.5°
C08	C10	N14	H1	125.9°	122.5°
C08	C10	C11	C12	148.5°	142.6°
C08	C10	N14	C13	125.6°	158.3°
C08	C10	C11	H10	29.7°	23.7°
C08	C10	C11	H11	92.6°	98.5°
C10	C08	N07	H14	4.9°	5.0°
C08	C10	N14	H15	114.8°	82.2°
O09	C08	C10	C11	94.8°	100.0°
O09	C08	C10	N14	20.9°	15.2°
O09	C08	C10	H1	148.6°	137.6°
O09	C08	N07	H14	174.4°	174.9°
C11	C10	N14	H1	120.6°	118.7°
C10	C11	C12	H10	118.8°	118.8°
C10	C11	C12	H11	118.8°	118.9°
C11	C10	N14	C13	12.2°	39.5°
C10	C11	C12	C13	34.9°	0.0°
C10	C11	H10	H11	123.4°	122.2°
C10	C11	C12	H12	154.1°	118.9°
C10	C11	C12	H13	84.3°	118.9°
C11	C10	N14	H15	131.7°	159.0°
N14	C10	C11	C12	29.1°	23.8°
C10	N14	C13	H15	119.5°	119.6°
C10	N14	C13	C12	10.3°	39.5°
C10	N14	C13	H2	130.0°	158.2°
C10	N14	C13	H3	109.3°	79.3°
N14	C10	C11	H10	89.7°	95.1°
N14	C10	C11	H11	148.0°	142.7°
C11	C12	C13	N14	28.7°	23.9°
C11	C12	C13	H12	119.2°	118.9°
C11	C12	C13	H13	119.2°	119.0°
C12	C11	C10	H1	94.1°	94.9°
C11	C12	C13	H2	148.3°	142.6°
C11	C12	C13	H3	91.0°	95.0°
C12	C11	H10	H11	123.4°	122.3°
C11	C12	H12	H13	122.3°	122.2°
N14	C13	C12	H2	119.7°	118.8°
N14	C13	C12	H3	119.7°	118.9°
C13	N14	C10	H1	108.4°	79.3°
N14	C13	H2	H3	121.0°	122.5°
N14	C13	C12	H12	147.9°	142.7°
N14	C13	C12	H13	90.5°	95.1°
C12	C13	H2	H3	121.0°	122.3°
C13	C12	C11	H10	83.9°	118.9°
C13	C12	C11	H11	153.8°	118.8°
C13	C12	H12	H13	122.3°	122.1°
C12	C13	N14	H15	109.2°	159.1°
H1	C10	C11	H10	147.0°	146.2°
H1	C10	C11	H11	24.7°	24.0°
H1	C10	N14	H15	11.1°	40.3°
H2	C13	C12	H12	92.5°	98.5°
H2	C13	C12	H13	29.1°	23.7°
H2	C13	N14	H15	10.5°	82.1°
H3	C13	C12	H12	28.2°	23.8°
H3	C13	C12	H13	149.8°	146.0°
H3	C13	N14	H15	131.2°	40.3°
H4	C01	H5	H6	120.0°	120.0°
H7	C03	C04	H8	1.4°	0.0°
H8	C04	C05	H9	2.8°	0.1°
H10	C11	C12	H12	35.3°	122.3°
H10	C11	C12	H13	156.9°	0.0°
H11	C11	C12	H12	87.0°	0.0°
H11	C11	C12	H13	34.5°	122.2°

Release date:	2020-11-11
Definition date:	2020-10-30
Last modified:	2020-11-06
Release status:	REL
Processing site:	RCSB
Derived from:	5RWK