YFA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	C06	doub	1.33Å	1.34Å	Aromatic
C07	S08	sing	1.76Å	1.70Å	Aromatic
C06	N05	sing	1.32Å	1.42Å	Aromatic
S08	C04	sing	1.71Å	1.82Å	Aromatic
N05	C04	doub	1.30Å	1.33Å	Aromatic
C39	C40	doub	1.38Å	1.39Å	Aromatic
C39	C38	sing	1.38Å	1.39Å	Aromatic
C04	N03	sing	1.39Å	1.39Å
C40	C35	sing	1.38Å	1.40Å	Aromatic
C38	C37	doub	1.38Å	1.38Å	Aromatic
O01	C02	doub	1.21Å	1.22Å
N03	C02	sing	1.35Å	1.41Å
C02	C09	sing	1.51Å	1.51Å
C35	C09	sing	1.51Å	1.58Å
C35	C36	doub	1.38Å	1.42Å	Aromatic
C37	C36	sing	1.38Å	1.40Å	Aromatic
C33	N32	doub	1.30Å	1.28Å
C33	N10	sing	1.36Å	1.37Å
C09	N10	sing	1.47Å	1.43Å
N32	C31	sing	1.36Å	1.41Å
N10	C11	sing	1.35Å	1.45Å
C31	C30	doub	1.40Å	1.41Å	Aromatic
C31	C12	sing	1.41Å	1.41Å	Aromatic
C11	C12	sing	1.47Å	1.47Å
C11	O34	doub	1.22Å	1.24Å
C30	C29	sing	1.37Å	1.38Å	Aromatic
C12	C13	doub	1.39Å	1.43Å	Aromatic
C29	C15	doub	1.40Å	1.41Å	Aromatic
C13	C15	sing	1.39Å	1.42Å	Aromatic
C13	F14	sing	1.35Å	1.28Å
C15	C16	sing	1.48Å	1.51Å
C16	C17	doub	1.39Å	1.40Å	Aromatic
C16	C28	sing	1.39Å	1.41Å	Aromatic
C17	C18	sing	1.38Å	1.41Å	Aromatic
C28	C27	doub	1.38Å	1.40Å	Aromatic
C18	C19	doub	1.38Å	1.39Å	Aromatic
C27	C19	sing	1.38Å	1.40Å	Aromatic
C19	C20	sing	1.51Å	1.55Å
C26	C20	sing	1.53Å	1.56Å
C26	C25	sing	1.53Å	1.52Å
C20	C21	sing	1.53Å	1.60Å
C21	C22	sing	1.53Å	1.53Å
C25	N23	sing	1.47Å	1.50Å
C22	N23	sing	1.47Å	1.53Å
N23	C24	sing	1.47Å	1.53Å
C06	H1	sing	1.08Å	1.08Å
C07	H2	sing	1.08Å	1.08Å
C09	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.08Å	1.08Å
C18	H5	sing	1.08Å	1.08Å
C20	H6	sing	1.09Å	1.10Å
C21	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.09Å	1.10Å
C22	H9	sing	1.09Å	1.10Å
C22	H10	sing	1.09Å	1.10Å
C24	H11	sing	1.09Å	1.10Å
C24	H12	sing	1.09Å	1.10Å
C24	H13	sing	1.09Å	1.10Å
C25	H14	sing	1.09Å	1.10Å
C25	H15	sing	1.09Å	1.10Å
C26	H16	sing	1.09Å	1.10Å
C26	H17	sing	1.09Å	1.10Å
C27	H18	sing	1.08Å	1.08Å
C28	H19	sing	1.08Å	1.08Å
C29	H20	sing	1.08Å	1.08Å
C30	H21	sing	1.08Å	1.08Å
C33	H22	sing	1.08Å	1.08Å
C36	H23	sing	1.08Å	1.08Å
C37	H24	sing	1.08Å	1.08Å
C38	H25	sing	1.08Å	1.08Å
C39	H26	sing	1.08Å	1.08Å
C40	H27	sing	1.08Å	1.08Å
N03	H28	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C07	S08	109.8°	108.0°
C07	C06	N05	119.1°	114.6°
C07	C06	H1	120.5°	122.7°
C06	C07	H2	125.1°	126.0°
C07	S08	C04	90.0°	90.3°
S08	C07	H2	125.1°	126.0°
C06	N05	C04	108.5°	116.9°
N05	C06	H1	120.4°	122.7°
S08	C04	N05	112.6°	110.1°
S08	C04	N03	117.9°	124.9°
N05	C04	N03	129.3°	124.9°
C40	C39	C38	121.2°	120.0°
C39	C40	C35	123.0°	120.0°
C40	C39	H26	119.4°	120.0°
C39	C40	H27	118.5°	120.0°
C39	C38	C37	118.4°	120.0°
C39	C38	H25	120.8°	120.0°
C38	C39	H26	119.4°	120.0°
C04	N03	C02	129.1°	120.0°
C04	N03	H28	115.4°	120.0°
C40	C35	C09	122.9°	120.0°
C40	C35	C36	114.3°	120.0°
C35	C40	H27	118.5°	120.0°
C38	C37	C36	119.9°	120.0°
C38	C37	H24	120.1°	120.0°
C37	C38	H25	120.8°	120.0°
O01	C02	N03	118.4°	120.0°
O01	C02	C09	115.9°	120.1°
N03	C02	C09	125.6°	119.9°
C02	N03	H28	115.5°	120.0°
C02	C09	C35	110.1°	109.5°
C02	C09	N10	113.9°	109.4°
C02	C09	H3	107.4°	109.5°
C09	C35	C36	122.8°	120.0°
C35	C09	N10	110.0°	109.5°
C35	C09	H3	106.6°	109.5°
C35	C36	C37	123.3°	120.0°
C35	C36	H23	118.4°	120.0°
C37	C36	H23	118.4°	120.0°
C36	C37	H24	120.1°	120.0°
N32	C33	N10	131.8°	123.4°
C33	N32	C31	120.6°	121.7°
N32	C33	H22	114.1°	118.4°
C33	N10	C09	126.5°	119.7°
C33	N10	C11	109.3°	120.6°
N10	C33	H22	114.1°	118.3°
C09	N10	C11	124.0°	119.7°
N10	C09	H3	108.5°	109.5°
N32	C31	C30	125.1°	121.5°
N32	C31	C12	117.9°	118.9°
N10	C11	C12	123.6°	117.4°
N10	C11	O34	112.3°	121.3°
C30	C31	C12	117.0°	119.6°
C31	C30	C29	122.0°	120.0°
C31	C30	H21	119.0°	120.0°
C31	C12	C11	116.8°	118.1°
C31	C12	C13	118.7°	120.0°
C12	C11	O34	124.0°	121.3°
C11	C12	C13	124.5°	121.9°
C30	C29	C15	124.7°	120.9°
C30	C29	H20	117.6°	119.5°
C29	C30	H21	119.0°	120.0°
C12	C13	C15	125.4°	119.2°
C12	C13	F14	116.5°	120.4°
C29	C15	C13	112.2°	120.2°
C29	C15	C16	124.3°	119.9°
C15	C29	H20	117.6°	119.6°
C15	C13	F14	118.2°	120.4°
C13	C15	C16	123.4°	119.9°
C15	C16	C17	124.9°	120.1°
C15	C16	C28	123.0°	120.1°
C17	C16	C28	112.1°	119.7°
C16	C17	C18	123.6°	119.9°
C16	C17	H4	118.2°	120.1°
C16	C28	C27	124.5°	119.9°
C16	C28	H19	117.8°	120.0°
C17	C18	C19	123.5°	120.1°
C18	C17	H4	118.2°	120.0°
C17	C18	H5	118.3°	120.0°
C28	C27	C19	122.3°	120.1°
C28	C27	H18	118.8°	119.9°
C27	C28	H19	117.7°	120.1°
C18	C19	C27	113.9°	120.2°
C18	C19	C20	127.9°	119.9°
C19	C18	H5	118.2°	119.9°
C27	C19	C20	118.1°	119.9°
C19	C27	H18	118.8°	120.0°
C19	C20	C26	100.9°	109.5°
C19	C20	C21	124.6°	109.5°
C19	C20	H6	105.8°	109.5°
C20	C26	C25	110.0°	109.3°
C26	C20	C21	113.2°	109.1°
C26	C20	H6	105.6°	109.5°
C20	C26	H16	109.4°	109.5°
C20	C26	H17	109.4°	109.5°
C26	C25	N23	119.0°	109.5°
C26	C25	H14	107.1°	109.5°
C26	C25	H15	107.0°	109.5°
C25	C26	H16	109.3°	109.5°
C25	C26	H17	109.3°	109.5°
C20	C21	C22	110.2°	109.3°
C21	C20	H6	105.3°	109.6°
C20	C21	H7	109.3°	109.5°
C20	C21	H8	109.3°	109.5°
C21	C22	N23	114.6°	109.5°
C22	C21	H7	109.3°	109.5°
C22	C21	H8	109.3°	109.5°
C21	C22	H9	108.2°	109.5°
C21	C22	H10	108.2°	109.5°
C25	N23	C22	119.0°	111.1°
C25	N23	C24	108.3°	111.0°
N23	C25	H14	107.0°	109.5°
N23	C25	H15	107.0°	109.4°
C22	N23	C24	113.7°	111.0°
N23	C22	H9	108.2°	109.4°
N23	C22	H10	108.2°	109.5°
N23	C24	H11	109.5°	109.5°
N23	C24	H12	109.5°	109.5°
N23	C24	H13	109.5°	109.5°
H7	C21	H8	109.4°	109.6°
H9	C22	H10	109.5°	109.4°
H11	C24	H12	109.5°	109.5°
H11	C24	H13	109.5°	109.5°
H12	C24	H13	109.5°	109.4°
H14	C25	H15	109.5°	109.5°
H16	C26	H17	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C07	S08	H2	180.0°	179.9°
C07	C06	N05	H1	180.0°	179.8°
C06	C07	S08	C04	1.8°	0.2°
C07	C06	N05	C04	0.7°	0.1°
S08	C07	C06	N05	1.1°	0.1°
C07	S08	C04	N05	2.4°	0.3°
C07	S08	C04	N03	177.9°	180.0°
S08	C07	C06	H1	178.9°	179.7°
C06	N05	C04	S08	2.1°	0.3°
C06	N05	C04	N03	176.9°	180.0°
N05	C06	C07	H2	178.9°	180.0°
S08	C04	N05	N03	174.8°	179.8°
S08	C04	N03	C02	8.9°	0.3°
C04	S08	C07	H2	178.2°	179.9°
S08	C04	N03	H28	171.1°	179.7°
N05	C04	N03	C02	176.5°	180.0°
C04	N05	C06	H1	179.3°	179.9°
N05	C04	N03	H28	3.5°	0.0°
C40	C39	C38	H26	180.0°	179.5°
C39	C40	C35	H27	180.0°	179.4°
C40	C39	C38	C37	0.2°	0.3°
C39	C40	C35	C09	179.7°	179.7°
C39	C40	C35	C36	0.2°	0.6°
C40	C39	C38	H25	179.8°	179.8°
C38	C39	C40	C35	0.0°	0.6°
C39	C38	C37	H25	180.0°	179.9°
C39	C38	C37	C36	0.2°	0.1°
C39	C38	C37	H24	179.8°	180.0°
C38	C39	C40	H27	180.0°	180.0°
C04	N03	C02	O01	3.6°	0.3°
C04	N03	C02	H28	180.0°	180.0°
C04	N03	C02	C09	176.2°	180.0°
C40	C35	C09	C02	7.8°	123.1°
C40	C35	C09	C36	179.5°	179.7°
C40	C35	C36	C37	0.2°	0.4°
C40	C35	C09	N10	118.5°	116.9°
C40	C35	C09	H3	124.0°	3.1°
C40	C35	C36	H23	179.8°	179.7°
C35	C40	C39	H26	180.0°	179.9°
C38	C37	C36	C35	0.1°	0.1°
C38	C37	C36	H24	180.0°	179.9°
C38	C37	C36	H23	179.9°	179.9°
C37	C38	C39	H26	179.8°	179.8°
O01	C02	N03	C09	179.8°	179.7°
O01	C02	C09	C35	106.2°	120.2°
O01	C02	C09	N10	17.9°	0.3°
O01	C02	C09	H3	138.0°	119.7°
O01	C02	N03	H28	176.4°	179.8°
N03	C02	C09	C35	73.5°	60.0°
N03	C02	C09	N10	162.4°	180.0°
N03	C02	C09	H3	42.2°	60.0°
C02	C09	C35	N10	126.3°	120.0°
C02	C09	C35	H3	116.2°	120.1°
C02	C09	C35	C36	172.7°	57.2°
C02	C09	N10	C33	92.2°	53.2°
C02	C09	N10	H3	119.5°	120.0°
C02	C09	N10	C11	93.6°	126.8°
C09	C02	N03	H28	3.8°	0.0°
C09	C35	C36	C37	179.8°	179.9°
C35	C09	N10	C33	32.0°	66.8°
C35	C09	N10	H3	116.3°	120.0°
C35	C09	N10	C11	142.3°	113.2°
C09	C35	C36	H23	0.2°	0.0°
C09	C35	C40	H27	0.3°	0.3°
C35	C36	C37	H23	180.0°	180.0°
C36	C35	C09	N10	61.0°	62.8°
C36	C35	C09	H3	56.5°	177.2°
C35	C36	C37	H24	179.9°	180.0°
C36	C35	C40	H27	179.8°	180.0°
C36	C37	C38	H25	179.8°	180.0°
N32	C33	N10	H22	180.0°	179.0°
N32	C33	N10	C09	176.1°	179.3°
N32	C33	N10	C11	1.2°	0.7°
C33	N32	C31	C30	179.4°	179.3°
C33	N32	C31	C12	0.6°	0.6°
C33	N10	C09	C11	174.3°	179.9°
N10	C33	N32	C31	0.4°	1.0°
C33	N10	C11	C12	1.0°	0.1°
C33	N10	C11	O34	179.3°	179.7°
C33	N10	C09	H3	148.3°	173.2°
C09	N10	C11	C12	176.1°	180.0°
C09	N10	C11	O34	4.2°	0.2°
C09	N10	C33	H22	3.9°	0.4°
N32	C31	C30	C12	178.8°	179.9°
N32	C31	C12	C11	0.7°	0.0°
N32	C31	C30	C29	179.6°	180.0°
N32	C31	C12	C13	179.6°	180.0°
N32	C31	C30	H21	0.4°	0.0°
C31	N32	C33	H22	179.6°	180.0°
N10	C11	C12	C31	0.1°	0.2°
N10	C11	C12	O34	179.7°	179.8°
N10	C11	C12	C13	179.6°	179.7°
C11	N10	C09	H3	26.0°	6.8°
C11	N10	C33	H22	178.8°	179.7°
C30	C31	C12	C11	179.5°	179.9°
C31	C30	C29	H21	180.0°	180.0°
C30	C31	C12	C13	0.7°	0.0°
C31	C30	C29	C15	0.1°	0.0°
C31	C30	C29	H20	180.0°	180.0°
C31	C12	C11	C13	179.7°	179.9°
C31	C12	C11	O34	179.9°	179.9°
C12	C31	C30	C29	0.8°	0.0°
C31	C12	C13	C15	0.1°	0.0°
C31	C12	C13	F14	180.0°	179.9°
C12	C31	C30	H21	179.2°	180.0°
C11	C12	C13	C15	179.6°	180.0°
C11	C12	C13	F14	0.3°	0.1°
O34	C11	C12	C13	0.2°	0.1°
C30	C29	C15	H20	180.0°	179.9°
C30	C29	C15	C13	0.7°	0.1°
C30	C29	C15	C16	178.5°	180.0°
C12	C13	C15	C29	0.8°	0.1°
C12	C13	C15	F14	179.9°	179.9°
C12	C13	C15	C16	178.6°	180.0°
C29	C15	C13	C16	177.8°	179.9°
C29	C15	C13	F14	179.3°	180.0°
C29	C15	C16	C17	141.4°	49.9°
C29	C15	C16	C28	39.4°	129.8°
C15	C29	C30	H21	179.9°	180.0°
C13	C15	C16	C17	41.1°	130.0°
C13	C15	C16	C28	138.2°	50.3°
C13	C15	C29	H20	179.3°	180.0°
F14	C13	C15	C16	1.5°	0.1°
C15	C16	C17	C28	179.3°	179.7°
C15	C16	C17	C18	179.0°	180.0°
C15	C16	C28	C27	179.6°	179.7°
C15	C16	C17	H4	1.0°	0.1°
C15	C16	C28	H19	0.4°	0.0°
C16	C15	C29	H20	1.5°	0.1°
C16	C17	C18	H4	180.0°	179.9°
C17	C16	C28	C27	1.1°	0.6°
C16	C17	C18	C19	3.3°	0.0°
C16	C17	C18	H5	176.7°	180.0°
C17	C16	C28	H19	178.9°	179.7°
C28	C16	C17	C18	1.7°	0.3°
C16	C28	C27	H19	180.0°	179.7°
C16	C28	C27	C19	2.0°	0.5°
C28	C16	C17	H4	178.4°	179.8°
C16	C28	C27	H18	178.0°	179.7°
C17	C18	C19	H5	180.0°	180.0°
C17	C18	C19	C27	3.8°	0.1°
C17	C18	C19	C20	179.5°	180.0°
C28	C27	C19	C18	3.2°	0.2°
C28	C27	C19	H18	180.0°	179.8°
C28	C27	C19	C20	179.4°	179.8°
C18	C19	C27	C20	176.2°	179.9°
C18	C19	C20	C26	108.0°	120.3°
C18	C19	C20	C21	20.3°	120.0°
C19	C18	C17	H4	176.7°	179.9°
C18	C19	C20	H6	142.1°	0.1°
C18	C19	C27	H18	176.8°	180.0°
C27	C19	C20	C26	67.6°	59.6°
C27	C19	C20	C21	164.1°	60.0°
C27	C19	C18	H5	176.2°	179.9°
C27	C19	C20	H6	42.3°	179.8°
C19	C27	C28	H19	178.0°	179.8°
C19	C20	C26	C21	135.4°	119.9°
C19	C20	C26	H6	110.0°	120.1°
C19	C20	C26	C25	178.1°	177.6°
C19	C20	C21	H6	122.0°	120.2°
C19	C20	C21	C22	175.8°	177.6°
C20	C19	C18	H5	0.5°	0.0°
C19	C20	C21	H7	64.1°	57.6°
C19	C20	C21	H8	55.6°	62.5°
C19	C20	C26	H16	58.0°	62.5°
C19	C20	C26	H17	61.9°	57.6°
C20	C19	C27	H18	0.7°	0.1°
C20	C26	C25	H16	120.1°	119.9°
C20	C26	C25	H17	120.1°	119.9°
C26	C20	C21	H6	114.9°	119.9°
C26	C20	C21	C22	61.2°	57.7°
C20	C26	C25	N23	2.0°	59.2°
C26	C20	C21	H7	59.0°	62.3°
C26	C20	C21	H8	178.7°	177.6°
C20	C26	C25	H14	123.4°	60.8°
C20	C26	C25	H15	119.3°	179.2°
C20	C26	H16	H17	119.8°	120.1°
C25	C26	C20	C21	46.5°	57.7°
C26	C25	N23	H14	121.4°	120.1°
C26	C25	N23	H15	121.4°	120.0°
C26	C25	N23	C22	38.8°	61.7°
C26	C25	N23	C24	93.0°	174.2°
C25	C26	C20	H6	68.1°	62.3°
C26	C25	H14	H15	115.7°	120.0°
C25	C26	H16	H17	119.7°	120.1°
C20	C21	C22	H7	120.1°	119.9°
C20	C21	C22	H8	120.1°	119.9°
C20	C21	C22	N23	24.2°	59.2°
C20	C21	H7	H8	119.7°	120.1°
C20	C21	C22	H9	144.9°	179.2°
C20	C21	C22	H10	96.6°	60.8°
C21	C20	C26	H16	166.6°	177.6°
C21	C20	C26	H17	73.5°	62.3°
C21	C22	N23	C25	23.1°	61.8°
C21	C22	N23	H9	120.8°	120.0°
C21	C22	N23	H10	120.8°	120.1°
C21	C22	N23	C24	106.2°	174.2°
C22	C21	C20	H6	53.7°	62.3°
C22	C21	H7	H8	119.7°	120.1°
C21	C22	H9	H10	117.7°	120.0°
C25	N23	C22	C24	129.4°	124.1°
C25	N23	C22	H9	97.6°	178.2°
C25	N23	C22	H10	143.9°	58.3°
C25	N23	C24	H11	180.0°	64.2°
C25	N23	C24	H12	60.0°	55.9°
C25	N23	C24	H13	60.0°	175.8°
N23	C25	H14	H15	115.7°	119.9°
N23	C25	C26	H16	118.1°	179.1°
N23	C25	C26	H17	122.1°	60.7°
N23	C22	C21	H7	96.0°	60.7°
N23	C22	C21	H8	144.3°	179.1°
N23	C22	H9	H10	117.7°	120.0°
C22	N23	C24	H11	45.4°	60.0°
C22	N23	C24	H12	74.6°	180.0°
C22	N23	C24	H13	165.4°	60.1°
C22	N23	C25	H14	160.2°	58.3°
C22	N23	C25	H15	82.6°	178.3°
C24	N23	C22	H9	133.0°	54.2°
C24	N23	C22	H10	14.5°	65.8°
N23	C24	H11	H12	120.0°	120.1°
N23	C24	H11	H13	120.0°	120.0°
N23	C24	H12	H13	120.0°	120.0°
C24	N23	C25	H14	28.4°	65.7°
C24	N23	C25	H15	145.7°	54.2°
H1	C06	C07	H2	1.1°	0.2°
H4	C17	C18	H5	3.3°	0.1°
H6	C20	C21	H7	173.8°	177.8°
H6	C20	C21	H8	66.4°	57.6°
H6	C20	C26	H16	52.0°	57.6°
H6	C20	C26	H17	171.9°	177.7°
H7	C21	C22	H9	24.8°	59.3°
H7	C21	C22	H10	143.2°	179.2°
H8	C21	C22	H9	95.0°	60.9°
H8	C21	C22	H10	23.5°	59.1°
H11	C24	H12	H13	120.0°	120.0°
H14	C25	C26	H16	3.3°	59.1°
H14	C25	C26	H17	116.5°	179.2°
H15	C25	C26	H16	120.6°	60.9°
H15	C25	C26	H17	0.8°	59.2°
H18	C27	C28	H19	2.0°	0.0°
H20	C29	C30	H21	0.0°	0.1°
H23	C36	C37	H24	0.1°	0.0°
H24	C37	C38	H25	0.2°	0.1°
H25	C38	C39	H26	0.2°	0.3°
H26	C39	C40	H27	0.0°	0.6°

Release date:	2022-02-23
Definition date:	2021-02-24
Last modified:	2022-02-18
Release status:	REL
Processing site:	RCSB
Derived from:	7LTX