HER

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	C3	sing	1.36Å	1.36Å
O8	C4	sing	1.36Å	1.37Å
C3	C4	doub	1.39Å	1.40Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
O6	C2	sing	1.36Å	1.37Å
C2	C1	doub	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.40Å	1.40Å	Aromatic
O3	C11	sing	1.36Å	1.36Å
C1	C6	sing	1.40Å	1.40Å	Aromatic
C6	C7	sing	1.48Å	1.47Å
C11	C7	doub	1.36Å	1.36Å
C11	C10	sing	1.42Å	1.44Å
C7	O1	sing	1.34Å	1.37Å
O2	C10	doub	1.22Å	1.26Å
C10	C9	sing	1.47Å	1.46Å
O1	C8	sing	1.35Å	1.36Å
C9	C8	doub	1.41Å	1.39Å	Aromatic
C9	C15	sing	1.40Å	1.41Å	Aromatic
C8	C12	sing	1.39Å	1.38Å	Aromatic
O4	C15	sing	1.36Å	1.35Å
C15	C14	doub	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.39Å	1.39Å	Aromatic
C14	C13	sing	1.39Å	1.41Å	Aromatic
C13	O5	sing	1.36Å	1.36Å
O5	C16	sing	1.43Å	1.42Å
C5	H1	sing	1.08Å	1.08Å
C1	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.09Å	1.10Å
C16	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.09Å	1.10Å
O3	H8	sing	0.97Å	0.95Å
O4	H9	sing	0.97Å	0.95Å
O6	H10	sing	0.97Å	0.95Å
O7	H11	sing	0.97Å	0.95Å
O8	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	C3	C4	120.9°	119.9°
O7	C3	C2	119.4°	119.9°
C3	O7	H11	109.5°	114.0°
O8	C4	C3	117.5°	120.0°
O8	C4	C5	121.9°	119.9°
C4	O8	H12	109.5°	114.1°
C4	C3	C2	119.8°	120.1°
C3	C4	C5	120.7°	120.1°
C3	C2	O6	119.1°	119.9°
C3	C2	C1	119.8°	120.1°
C4	C5	C6	119.5°	119.9°
C4	C5	H1	120.3°	120.1°
O6	C2	C1	121.2°	120.0°
C2	O6	H10	109.5°	114.0°
C2	C1	C6	120.9°	119.9°
C2	C1	H2	119.5°	120.0°
C5	C6	C1	119.3°	119.9°
C5	C6	C7	122.5°	120.1°
C6	C5	H1	120.3°	120.0°
O3	C11	C7	120.7°	120.3°
O3	C11	C10	117.7°	120.3°
C11	O3	H8	109.5°	114.0°
C1	C6	C7	117.7°	120.1°
C6	C1	H2	119.6°	120.1°
C6	C7	C11	123.9°	118.8°
C6	C7	O1	115.0°	118.8°
C7	C11	C10	121.5°	119.5°
C11	C7	O1	120.3°	122.4°
C11	C10	O2	120.7°	121.3°
C11	C10	C9	116.2°	117.4°
C7	O1	C8	121.6°	122.3°
O2	C10	C9	123.1°	121.3°
C10	C9	C8	119.3°	118.5°
C10	C9	C15	123.3°	121.2°
O1	C8	C9	120.9°	119.8°
O1	C8	C12	115.6°	120.7°
C8	C9	C15	117.4°	120.2°
C9	C8	C12	123.5°	119.4°
C9	C15	O4	119.7°	120.3°
C9	C15	C14	120.6°	119.5°
C8	C12	C13	117.4°	120.0°
C8	C12	H3	121.3°	120.0°
O4	C15	C14	119.6°	120.2°
C15	O4	H9	109.5°	114.0°
C15	C14	C13	119.6°	120.1°
C15	C14	H4	120.2°	120.0°
C12	C13	C14	121.4°	120.7°
C12	C13	O5	122.6°	119.6°
C13	C12	H3	121.3°	120.0°
C14	C13	O5	115.9°	119.7°
C13	C14	H4	120.2°	119.9°
C13	O5	C16	117.5°	117.0°
O5	C16	H5	109.5°	109.5°
O5	C16	H6	109.5°	109.5°
O5	C16	H7	109.4°	109.5°
H5	C16	H6	109.5°	109.4°
H5	C16	H7	109.5°	109.5°
H6	C16	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	C3	C4	O8	0.2°	0.2°
O7	C3	C4	C2	179.8°	180.0°
O7	C3	C4	C5	179.8°	180.0°
O7	C3	C2	O6	0.0°	0.0°
O7	C3	C2	C1	180.0°	180.0°
O8	C4	C3	C5	179.6°	179.8°
O8	C4	C3	C2	179.6°	179.8°
O8	C4	C5	C6	178.4°	179.8°
O8	C4	C5	H1	1.6°	0.3°
C4	C3	C2	O6	179.8°	180.0°
C4	C3	C2	C1	0.2°	0.0°
C3	C4	C5	C6	2.0°	0.0°
C3	C4	C5	H1	178.0°	179.9°
C4	C3	O7	H11	180.0°	90.0°
C3	C4	O8	H12	180.0°	90.2°
C2	C3	C4	C5	0.0°	0.0°
C3	C2	O6	C1	180.0°	180.0°
C3	C2	C1	C6	1.7°	0.0°
C3	C2	C1	H2	178.3°	180.0°
C3	C2	O6	H10	180.0°	90.0°
C2	C3	O7	H11	0.2°	90.0°
C4	C5	C6	H1	180.0°	179.9°
C4	C5	C6	C1	3.8°	0.0°
C4	C5	C6	C7	175.9°	179.9°
C5	C4	O8	H12	0.4°	90.0°
O6	C2	C1	C6	178.3°	180.0°
O6	C2	C1	H2	1.7°	0.0°
C2	C1	C6	C5	3.7°	0.0°
C2	C1	C6	H2	180.0°	180.0°
C2	C1	C6	C7	176.1°	179.9°
C1	C2	O6	H10	0.0°	90.0°
C5	C6	C1	C7	172.4°	179.9°
C5	C6	C7	C11	51.4°	47.5°
C5	C6	C7	O1	138.5°	132.8°
C5	C6	C1	H2	176.3°	180.0°
O3	C11	C7	C6	7.7°	0.0°
O3	C11	C7	C10	177.9°	179.9°
O3	C11	C7	O1	177.3°	179.8°
O3	C11	C10	O2	0.0°	0.2°
O3	C11	C10	C9	179.6°	180.0°
C1	C6	C7	C11	120.8°	132.5°
C1	C6	C7	O1	49.3°	47.3°
C1	C6	C5	H1	176.2°	180.0°
C6	C7	C11	O1	169.6°	179.7°
C6	C7	C11	C10	174.4°	180.0°
C6	C7	O1	C8	175.6°	180.0°
C7	C6	C5	H1	4.1°	0.1°
C7	C6	C1	H2	3.9°	0.1°
C7	C11	C10	O2	178.0°	179.7°
C7	C11	C10	C9	2.4°	0.0°
C11	C7	O1	C8	5.0°	0.3°
C7	C11	O3	H8	178.0°	180.0°
C10	C11	C7	O1	4.8°	0.3°
C11	C10	O2	C9	179.6°	179.7°
C11	C10	C9	C8	0.3°	0.2°
C11	C10	C9	C15	179.8°	180.0°
C10	C11	O3	H8	0.0°	0.1°
C7	O1	C8	C9	2.9°	0.0°
C7	O1	C8	C12	177.4°	180.0°
O2	C10	C9	C8	179.9°	180.0°
O2	C10	C9	C15	0.6°	0.2°
C10	C9	C8	O1	0.6°	0.3°
C10	C9	C8	C15	179.5°	179.8°
C10	C9	C8	C12	179.8°	179.7°
C10	C9	C15	O4	0.6°	0.2°
C10	C9	C15	C14	179.5°	179.7°
O1	C8	C9	C12	179.7°	180.0°
O1	C8	C9	C15	179.9°	180.0°
O1	C8	C12	C13	180.0°	180.0°
O1	C8	C12	H3	0.0°	0.0°
C8	C9	C15	O4	179.9°	179.9°
C8	C9	C15	C14	0.0°	0.1°
C9	C8	C12	C13	0.3°	0.0°
C9	C8	C12	H3	179.7°	180.0°
C15	C9	C8	C12	0.2°	0.0°
C9	C15	O4	C14	179.9°	179.8°
C9	C15	C14	C13	0.1°	0.1°
C9	C15	C14	H4	179.9°	180.0°
C9	C15	O4	H9	0.3°	90.2°
C8	C12	C13	H3	180.0°	180.0°
C8	C12	C13	C14	0.2°	0.0°
C8	C12	C13	O5	179.7°	180.0°
O4	C15	C14	C13	179.8°	180.0°
O4	C15	C14	H4	0.2°	0.2°
C15	C14	C13	C12	0.0°	0.1°
C15	C14	C13	H4	180.0°	179.8°
C15	C14	C13	O5	179.6°	179.9°
C14	C15	O4	H9	179.8°	90.0°
C12	C13	C14	O5	179.5°	180.0°
C12	C13	O5	C16	4.5°	180.0°
C12	C13	C14	H4	180.0°	179.9°
C14	C13	O5	C16	175.0°	0.0°
C14	C13	C12	H3	179.8°	180.0°
O5	C13	C12	H3	0.3°	0.0°
O5	C13	C14	H4	0.4°	0.1°
C13	O5	C16	H5	180.0°	60.0°
C13	O5	C16	H6	60.0°	180.0°
C13	O5	C16	H7	60.0°	60.0°
O5	C16	H5	H6	120.0°	120.0°
O5	C16	H5	H7	120.0°	120.0°
O5	C16	H6	H7	120.0°	120.0°
H5	C16	H6	H7	120.0°	119.9°

Release date:	2021-05-12
Definition date:	2020-12-23
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBJ
Derived from:	7DPU