89W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	C06	sing	1.53Å	1.54Å
C07	N08	sing	1.47Å	1.49Å
C06	C05	sing	1.53Å	1.48Å
N08	C09	sing	1.47Å	1.48Å
C05	C04	sing	1.53Å	1.49Å
C09	C04	sing	1.53Å	1.52Å
C04	N03	sing	1.46Å	1.43Å
N03	C02	sing	1.35Å	1.43Å
O01	C02	doub	1.22Å	1.19Å
C02	C10	sing	1.48Å	1.51Å
C10	C15	doub	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.40Å	1.38Å	Aromatic
C15	C14	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C14	C13	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
N03	H3	sing	0.97Å	1.00Å
C04	H4	sing	1.09Å	1.10Å
C05	H5	sing	1.09Å	1.10Å
C05	H6	sing	1.09Å	1.10Å
C06	H7	sing	1.09Å	1.10Å
C06	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.09Å	1.10Å
N08	H11	sing	1.01Å	1.00Å
C09	H13	sing	1.09Å	1.10Å
C09	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.08Å	1.08Å
C12	H16	sing	1.08Å	1.08Å
C14	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C07	N08	114.5°	109.5°
C07	C06	C05	112.4°	109.3°
C07	C06	H7	108.7°	109.5°
C07	C06	H8	108.7°	109.5°
C06	C07	H9	108.2°	109.5°
C06	C07	H10	108.2°	109.5°
C07	N08	C09	118.2°	111.2°
N08	C07	H9	108.2°	109.4°
N08	C07	H10	108.2°	109.5°
C07	N08	H11	107.3°	111.0°
C06	C05	C04	112.1°	109.2°
C06	C05	H5	108.8°	109.6°
C06	C05	H6	108.8°	109.6°
C05	C06	H7	108.8°	109.5°
C05	C06	H8	108.7°	109.6°
N08	C09	C04	113.5°	109.5°
C09	N08	H11	107.3°	111.1°
N08	C09	H13	108.5°	109.4°
N08	C09	H14	108.5°	109.5°
C05	C04	C09	114.3°	109.3°
C05	C04	N03	111.0°	109.5°
C05	C04	H4	110.0°	109.5°
C04	C05	H5	108.8°	109.5°
C04	C05	H6	108.8°	109.5°
C09	C04	N03	100.9°	109.5°
C09	C04	H4	109.5°	109.5°
C04	C09	H13	108.5°	109.5°
C04	C09	H14	108.5°	109.4°
C04	N03	C02	117.8°	120.0°
C04	N03	H3	121.1°	120.0°
N03	C04	H4	110.9°	109.5°
N03	C02	O01	121.7°	120.0°
N03	C02	C10	115.6°	120.0°
C02	N03	H3	121.1°	119.9°
O01	C02	C10	122.7°	120.0°
C02	C10	C15	118.8°	120.2°
C02	C10	C11	118.5°	120.1°
C15	C10	C11	122.7°	119.7°
C10	C15	C14	120.9°	119.8°
C10	C15	H2	119.6°	120.1°
C10	C11	C12	116.4°	119.8°
C10	C11	H15	121.8°	120.1°
C15	C14	C13	116.5°	120.2°
C14	C15	H2	119.5°	120.1°
C15	C14	H17	121.8°	119.9°
C11	C12	C13	121.4°	120.2°
C12	C11	H15	121.8°	120.1°
C11	C12	H16	119.3°	119.9°
C14	C13	C12	122.2°	120.3°
C14	C13	H1	118.9°	119.9°
C13	C14	H17	121.7°	119.9°
C12	C13	H1	118.9°	119.9°
C13	C12	H16	119.3°	119.9°
H5	C05	H6	109.5°	109.5°
H7	C06	H8	109.5°	109.5°
H9	C07	H10	109.5°	109.4°
H13	C09	H14	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C07	N08	H9	120.7°	120.0°
C06	C07	N08	H10	120.7°	120.1°
C07	C06	C05	H7	120.4°	119.9°
C07	C06	C05	H8	120.4°	120.0°
C06	C07	N08	C09	37.1°	61.7°
C07	C06	C05	C04	53.6°	57.7°
C07	C06	C05	H5	174.0°	62.2°
C07	C06	C05	H6	66.8°	177.6°
C07	C06	H7	H8	118.6°	120.1°
C06	C07	H9	H10	117.7°	120.0°
C06	C07	N08	H11	158.4°	174.1°
N08	C07	C06	C05	44.9°	59.2°
C07	N08	C09	H11	121.3°	124.1°
C07	N08	C09	C04	36.4°	61.7°
N08	C07	C06	H7	75.5°	179.1°
N08	C07	C06	H8	165.4°	60.9°
N08	C07	H9	H10	117.7°	120.0°
C07	N08	C09	H13	84.2°	178.3°
C07	N08	C09	H14	157.0°	58.3°
C06	C05	C04	H5	120.4°	120.0°
C06	C05	C04	H6	120.4°	120.0°
C06	C05	C04	C09	54.3°	57.7°
C06	C05	C04	N03	167.5°	177.6°
C06	C05	C04	H4	69.4°	62.3°
C06	C05	H5	H6	118.8°	120.2°
C05	C06	H7	H8	118.7°	120.1°
C05	C06	C07	H9	75.8°	60.8°
C05	C06	C07	H10	165.7°	179.2°
N08	C09	C04	C05	44.6°	59.1°
N08	C09	C04	H13	120.6°	120.0°
N08	C09	C04	H14	120.6°	120.0°
N08	C09	C04	N03	163.7°	179.1°
N08	C09	C04	H4	79.3°	60.8°
C09	N08	C07	H9	83.6°	58.3°
C09	N08	C07	H10	157.8°	178.3°
N08	C09	H13	H14	118.2°	120.0°
C05	C04	C09	N03	119.1°	120.0°
C05	C04	C09	H4	123.9°	119.9°
C05	C04	N03	H4	122.5°	120.1°
C05	C04	N03	C02	102.9°	155.1°
C05	C04	N03	H3	77.1°	25.0°
C04	C05	H5	H6	118.8°	120.1°
C04	C05	C06	H7	66.9°	177.6°
C04	C05	C06	H8	174.0°	62.3°
C05	C04	C09	H13	76.0°	179.1°
C05	C04	C09	H14	165.2°	60.9°
C09	C04	N03	H4	116.0°	120.1°
C09	C04	N03	C02	135.6°	85.1°
C09	C04	N03	H3	44.4°	94.9°
C09	C04	C05	H5	174.7°	62.3°
C09	C04	C05	H6	66.1°	177.6°
C04	C09	N08	H11	157.7°	174.2°
C04	C09	H13	H14	118.1°	119.9°
C04	N03	C02	H3	180.0°	179.9°
C04	N03	C02	O01	2.2°	0.0°
C04	N03	C02	C10	177.0°	180.0°
N03	C04	C05	H5	72.1°	57.7°
N03	C04	C05	H6	47.1°	62.4°
N03	C04	C09	H13	43.1°	60.9°
N03	C04	C09	H14	75.7°	59.1°
N03	C02	O01	C10	179.2°	180.0°
N03	C02	C10	C15	41.0°	180.0°
N03	C02	C10	C11	138.9°	0.3°
C02	N03	C04	H4	19.6°	35.0°
O01	C02	C10	C15	138.2°	0.0°
O01	C02	C10	C11	41.9°	179.8°
O01	C02	N03	H3	177.8°	180.0°
C02	C10	C15	C11	179.9°	179.7°
C02	C10	C15	C14	179.7°	179.7°
C02	C10	C11	C12	179.5°	179.7°
C02	C10	C15	H2	0.3°	0.2°
C10	C02	N03	H3	3.0°	0.1°
C02	C10	C11	H15	0.5°	0.3°
C10	C15	C14	H2	180.0°	180.0°
C15	C10	C11	C12	0.4°	0.0°
C10	C15	C14	C13	0.3°	0.1°
C15	C10	C11	H15	179.6°	180.0°
C10	C15	C14	H17	179.7°	180.0°
C11	C10	C15	C14	0.4°	0.0°
C10	C11	C12	H15	180.0°	180.0°
C10	C11	C12	C13	1.4°	0.0°
C11	C10	C15	H2	179.6°	180.0°
C10	C11	C12	H16	178.6°	180.0°
C15	C14	C13	H17	180.0°	180.0°
C15	C14	C13	C12	0.6°	0.1°
C15	C14	C13	H1	179.3°	180.0°
C11	C12	C13	C14	1.5°	0.1°
C11	C12	C13	H16	180.0°	180.0°
C11	C12	C13	H1	178.4°	180.0°
C14	C13	C12	H1	180.0°	179.9°
C13	C14	C15	H2	179.7°	179.9°
C14	C13	C12	H16	178.5°	180.0°
C13	C12	C11	H15	178.6°	180.0°
C12	C13	C14	H17	179.4°	179.9°
H1	C13	C12	H16	1.5°	0.0°
H1	C13	C14	H17	0.6°	0.0°
H2	C15	C14	H17	0.3°	0.0°
H3	N03	C04	H4	160.4°	145.1°
H4	C04	C05	H5	51.0°	177.8°
H4	C04	C05	H6	170.2°	57.7°
H4	C04	C09	H13	160.1°	59.2°
H4	C04	C09	H14	41.3°	179.2°
H5	C05	C06	H7	53.5°	57.7°
H5	C05	C06	H8	65.6°	177.8°
H6	C05	C06	H7	172.8°	62.5°
H6	C05	C06	H8	53.6°	57.6°
H7	C06	C07	H9	163.7°	59.1°
H7	C06	C07	H10	45.2°	60.8°
H8	C06	C07	H9	44.6°	179.2°
H8	C06	C07	H10	73.9°	59.2°
H9	C07	N08	H11	37.6°	65.9°
H10	C07	N08	H11	80.9°	54.1°
H11	N08	C09	H13	37.1°	54.1°
H11	N08	C09	H14	81.7°	65.9°
H15	C11	C12	H16	1.3°	0.0°

Release date:	2021-09-22
Definition date:	2021-09-14
Last modified:	2021-09-17
Release status:	REL
Processing site:	RCSB
Derived from:	5SBK