YHE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C17	doub	1.22Å	1.29Å
C5	C6	doub	1.35Å	1.37Å	Aromatic
C5	C4	sing	1.46Å	1.33Å	Aromatic
C6	C	sing	1.41Å	1.38Å	Aromatic
C17	C16	sing	1.42Å	1.51Å
C17	O2	sing	1.35Å	1.28Å
C16	C15	doub	1.35Å	1.54Å
N	C4	doub	1.31Å	1.32Å	Aromatic
N	O	sing	1.21Å	1.37Å	Aromatic
C4	C2	sing	1.48Å	1.35Å	Aromatic
C	C15	sing	1.47Å	1.42Å
C	C1	doub	1.39Å	1.40Å	Aromatic
O	C3	sing	1.34Å	1.32Å	Aromatic
C2	C1	sing	1.39Å	1.36Å	Aromatic
C2	C3	doub	1.40Å	1.36Å	Aromatic
C3	C7	sing	1.47Å	1.34Å
C7	C8	doub	1.40Å	1.40Å	Aromatic
C7	C12	sing	1.40Å	1.40Å	Aromatic
C8	C9	sing	1.38Å	1.40Å	Aromatic
C12	C11	doub	1.38Å	1.40Å	Aromatic
C9	C14	sing	1.51Å	1.39Å
C9	C10	doub	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.40Å	Aromatic
C11	C13	sing	1.51Å	1.39Å
O2	H1	sing	0.97Å	0.95Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C16	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.09Å	1.10Å
C13	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C8	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C17	C16	117.2°	120.0°
O1	C17	O2	123.0°	120.0°
C6	C5	C4	120.9°	119.2°
C5	C6	C	120.1°	121.8°
C6	C5	H2	119.6°	120.4°
C5	C6	H3	120.0°	119.1°
C5	C4	N	128.3°	136.5°
C5	C4	C2	121.7°	118.3°
C4	C5	H2	119.6°	120.4°
C6	C	C15	117.9°	119.2°
C6	C	C1	116.9°	121.7°
C	C6	H3	119.9°	119.1°
C16	C17	O2	119.8°	120.0°
C17	C16	C15	127.5°	120.0°
C17	C16	H4	116.2°	120.0°
C17	O2	H1	109.5°	114.0°
C16	C15	C	115.3°	120.0°
C15	C16	H4	116.3°	120.0°
C16	C15	H5	122.4°	120.0°
C4	N	O	107.4°	112.6°
N	C4	C2	110.0°	105.2°
N	O	C3	107.4°	113.5°
C4	C2	C1	118.9°	119.3°
C4	C2	C3	105.6°	102.9°
C15	C	C1	125.1°	119.1°
C	C15	H5	122.4°	120.1°
C	C1	C2	121.6°	119.7°
C	C1	H6	119.2°	120.2°
O	C3	C2	109.6°	105.7°
O	C3	C7	118.8°	127.1°
C1	C2	C3	135.5°	137.7°
C2	C1	H6	119.2°	120.1°
C2	C3	C7	131.6°	127.1°
C3	C7	C8	117.1°	120.1°
C3	C7	C12	124.0°	120.2°
C8	C7	C12	118.9°	119.7°
C7	C8	C9	120.7°	119.8°
C7	C8	H17	119.6°	120.1°
C7	C12	C11	120.4°	119.8°
C7	C12	H9	119.8°	120.1°
C8	C9	C14	119.9°	119.9°
C8	C9	C10	120.1°	120.2°
C9	C8	H17	119.7°	120.1°
C12	C11	C10	120.1°	120.2°
C12	C11	C13	119.9°	119.9°
C11	C12	H9	119.8°	120.1°
C14	C9	C10	120.0°	119.8°
C9	C14	H14	109.5°	109.5°
C9	C14	H15	109.5°	109.5°
C9	C14	H16	109.5°	109.6°
C9	C10	C11	119.9°	120.3°
C9	C10	H13	120.1°	119.9°
C10	C11	C13	120.1°	119.9°
C11	C10	H13	120.1°	119.8°
C11	C13	H10	109.5°	109.5°
C11	C13	H11	109.5°	109.4°
C11	C13	H12	109.4°	109.5°
H10	C13	H11	109.5°	109.4°
H10	C13	H12	109.5°	109.5°
H11	C13	H12	109.5°	109.4°
H14	C14	H15	109.4°	109.4°
H14	C14	H16	109.4°	109.4°
H15	C14	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C17	C16	O2	179.6°	179.9°
O1	C17	C16	C15	176.6°	0.0°
O1	C17	O2	H1	0.0°	0.1°
O1	C17	C16	H4	3.4°	179.9°
C6	C5	C4	H2	180.0°	179.9°
C5	C6	C	H3	180.0°	180.0°
C6	C5	C4	N	178.4°	180.0°
C6	C5	C4	C2	1.1°	0.0°
C5	C6	C	C15	177.7°	180.0°
C5	C6	C	C1	1.3°	0.1°
C4	C5	C6	C	0.3°	0.1°
C5	C4	N	C2	179.6°	180.0°
C5	C4	N	O	179.7°	180.0°
C5	C4	C2	C1	0.3°	0.0°
C5	C4	C2	C3	179.7°	179.8°
C4	C5	C6	H3	179.7°	180.0°
C6	C	C15	C16	8.5°	0.0°
C6	C	C15	C1	176.1°	180.0°
C6	C	C1	C2	2.2°	0.0°
C	C6	C5	H2	179.7°	180.0°
C6	C	C15	H5	171.4°	179.9°
C6	C	C1	H6	177.8°	179.6°
C17	C16	C15	H4	180.0°	179.9°
C17	C16	C15	C	174.9°	180.0°
C16	C17	O2	H1	179.6°	180.0°
C17	C16	C15	H5	5.1°	0.1°
O2	C17	C16	C15	3.0°	180.0°
O2	C17	C16	H4	177.0°	0.0°
C16	C15	C	H5	180.0°	179.9°
C16	C15	C	C1	167.5°	180.0°
C4	N	O	C3	0.4°	0.3°
N	C4	C2	C1	179.3°	180.0°
N	C4	C2	C3	0.7°	0.2°
N	C4	C5	H2	1.6°	0.1°
O	N	C4	C2	0.7°	0.0°
N	O	C3	C2	0.0°	0.5°
N	O	C3	C7	179.6°	179.6°
C4	C2	C1	C	1.4°	0.0°
C4	C2	C3	O	0.4°	0.4°
C4	C2	C1	C3	179.9°	179.7°
C4	C2	C3	C7	180.0°	179.7°
C2	C4	C5	H2	178.9°	179.9°
C4	C2	C1	H6	178.6°	179.6°
C15	C	C1	C2	178.3°	180.0°
C15	C	C6	H3	2.3°	0.0°
C	C15	C16	H4	5.1°	0.1°
C15	C	C1	H6	1.8°	0.3°
C	C1	C2	H6	180.0°	179.7°
C	C1	C2	C3	178.7°	179.7°
C1	C	C6	H3	178.7°	180.0°
C1	C	C15	H5	12.5°	0.0°
O	C3	C2	C1	179.6°	179.9°
O	C3	C2	C7	179.5°	179.9°
O	C3	C7	C8	32.1°	46.4°
O	C3	C7	C12	145.2°	133.3°
C1	C2	C3	C7	0.1°	0.0°
C2	C3	C7	C8	147.4°	133.7°
C2	C3	C7	C12	35.3°	46.6°
C3	C2	C1	H6	1.3°	0.0°
C3	C7	C8	C12	177.4°	179.7°
C3	C7	C8	C9	178.7°	179.8°
C3	C7	C12	C11	178.5°	180.0°
C3	C7	C12	H9	1.5°	0.0°
C3	C7	C8	H17	1.4°	0.0°
C7	C8	C9	H17	180.0°	179.8°
C8	C7	C12	C11	1.2°	0.3°
C7	C8	C9	C14	178.3°	179.8°
C7	C8	C9	C10	0.6°	0.4°
C8	C7	C12	H9	178.8°	179.8°
C12	C7	C8	C9	1.2°	0.5°
C7	C12	C11	H9	180.0°	180.0°
C7	C12	C11	C10	0.6°	0.0°
C7	C12	C11	C13	179.9°	180.0°
C12	C7	C8	H17	178.8°	179.7°
C8	C9	C14	C10	178.9°	179.8°
C8	C9	C10	C11	0.0°	0.2°
C8	C9	C10	H13	180.0°	179.8°
C8	C9	C14	H14	90.5°	89.7°
C8	C9	C14	H15	149.5°	30.3°
C8	C9	C14	H16	29.4°	150.3°
C12	C11	C10	C9	0.0°	0.0°
C12	C11	C10	C13	179.5°	180.0°
C12	C11	C13	H10	90.2°	90.0°
C12	C11	C13	H11	149.8°	150.1°
C12	C11	C13	H12	29.8°	30.1°
C12	C11	C10	H13	180.0°	180.0°
C14	C9	C10	C11	179.0°	180.0°
C14	C9	C10	H13	1.1°	0.0°
C9	C14	H14	H15	120.0°	120.0°
C9	C14	H14	H16	120.0°	120.1°
C9	C14	H15	H16	120.0°	120.1°
C14	C9	C8	H17	1.6°	0.0°
C9	C10	C11	H13	180.0°	180.0°
C9	C10	C11	C13	179.5°	179.9°
C10	C9	C14	H14	90.5°	90.1°
C10	C9	C14	H15	29.5°	150.0°
C10	C9	C14	H16	149.5°	30.0°
C10	C9	C8	H17	179.4°	179.8°
C10	C11	C12	H9	179.4°	180.0°
C10	C11	C13	H10	90.3°	89.9°
C10	C11	C13	H11	29.8°	30.0°
C10	C11	C13	H12	149.7°	150.0°
C13	C11	C12	H9	0.1°	0.0°
C11	C13	H10	H11	120.0°	119.9°
C11	C13	H10	H12	120.0°	120.1°
C11	C13	H11	H12	120.0°	120.0°
C13	C11	C10	H13	0.5°	0.0°
H2	C5	C6	H3	0.3°	0.1°
H4	C16	C15	H5	174.9°	180.0°
H10	C13	H11	H12	120.0°	120.0°
H14	C14	H15	H16	120.0°	119.9°

Release date:	2024-12-11
Definition date:	2023-12-04
Last modified:	2024-12-06
Release status:	REL
Processing site:	RCSB
Derived from:	8V6W