YHQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C2	sing	1.43Å	1.41Å
N3	C7	doub	1.32Å	1.33Å	Aromatic
N3	C6	sing	1.33Å	1.34Å	Aromatic
C7	N4	sing	1.32Å	1.34Å	Aromatic
C3	C2	sing	1.54Å	1.52Å
C3	O2	sing	1.44Å	1.43Å
C3	N1	sing	1.47Å	1.46Å
C2	C1	sing	1.55Å	1.52Å
O2	C9	sing	1.45Å	1.45Å
C6	N1	sing	1.37Å	1.37Å	Aromatic
C6	C5	doub	1.40Å	1.38Å	Aromatic
N4	C8	doub	1.33Å	1.36Å	Aromatic
N1	C4	sing	1.36Å	1.37Å	Aromatic
C9	C1	sing	1.54Å	1.53Å
C9	C10	sing	1.53Å	1.51Å
C1	O1	sing	1.43Å	1.42Å
C5	C8	sing	1.41Å	1.41Å	Aromatic
C5	N2	sing	1.35Å	1.39Å	Aromatic
C8	N5	sing	1.38Å	1.33Å
O4	C10	sing	1.43Å	1.44Å
O4	P1	sing	1.61Å	1.60Å
C4	N2	doub	1.30Å	1.31Å	Aromatic
O7	P1	doub	1.48Å	1.48Å
C13	C11	sing	1.53Å	1.49Å
P1	O5	sing	1.61Å	1.49Å
P1	O6	sing	1.61Å	1.60Å
O6	C11	sing	1.43Å	1.47Å
C11	C12	sing	1.53Å	1.49Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
O1	H5	sing	0.97Å	0.95Å
C7	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
O3	H17	sing	0.97Å	0.95Å
O5	H18	sing	0.97Å	0.95Å
N5	H19	sing	0.97Å	1.00Å
N5	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C2	C3	108.5°	110.7°
O3	C2	C1	112.3°	110.5°
O3	C2	H2	112.6°	110.5°
C2	O3	H17	109.5°	114.0°
C7	N3	C6	110.9°	120.6°
N3	C7	N4	129.2°	122.5°
N3	C7	H6	115.4°	118.8°
N3	C6	N1	127.8°	134.9°
N3	C6	C5	126.6°	119.1°
C7	N4	C8	118.6°	121.2°
N4	C7	H6	115.4°	118.8°
C2	C3	O2	107.3°	104.8°
C2	C3	N1	115.5°	110.3°
C3	C2	C1	101.0°	104.1°
C3	C2	H2	110.9°	110.5°
C2	C3	H3	108.2°	110.3°
O2	C3	N1	107.2°	110.4°
C3	O2	C9	109.3°	105.4°
O2	C3	H3	109.5°	110.4°
C3	N1	C6	125.7°	126.3°
C3	N1	C4	128.1°	126.3°
N1	C3	H3	109.0°	110.4°
C2	C1	C9	101.6°	104.2°
C2	C1	O1	114.6°	110.5°
C2	C1	H1	109.8°	110.5°
C1	C2	H2	110.9°	110.5°
O2	C9	C1	104.4°	104.7°
O2	C9	C10	110.7°	110.5°
O2	C9	H7	109.6°	110.4°
N1	C6	C5	105.6°	106.0°
C6	N1	C4	106.2°	107.5°
C6	C5	C8	117.2°	118.2°
C6	C5	N2	110.8°	107.2°
N4	C8	C5	117.4°	118.4°
N4	C8	N5	118.8°	120.8°
N1	C4	N2	113.6°	110.0°
N1	C4	H4	123.2°	125.1°
C1	C9	C10	114.7°	110.4°
C9	C1	O1	109.6°	110.5°
C9	C1	H1	109.6°	110.6°
C1	C9	H7	108.5°	110.4°
C9	C10	O4	110.0°	109.5°
C10	C9	H7	108.8°	110.4°
C9	C10	H8	109.3°	109.5°
C9	C10	H9	109.4°	109.5°
O1	C1	H1	111.2°	110.4°
C1	O1	H5	109.5°	114.0°
C8	C5	N2	132.0°	134.6°
C5	C8	N5	123.8°	120.8°
C5	N2	C4	103.8°	109.4°
C8	N5	H19	109.5°	120.0°
C8	N5	H20	109.5°	120.0°
C10	O4	P1	117.4°	123.0°
O4	C10	H8	109.3°	109.5°
O4	C10	H9	109.3°	109.5°
O4	P1	O7	105.1°	109.5°
O4	P1	O5	109.7°	109.5°
O4	P1	O6	104.0°	109.4°
N2	C4	H4	123.2°	125.0°
O7	P1	O5	119.9°	109.5°
O7	P1	O6	111.1°	109.5°
C13	C11	O6	107.5°	109.5°
C13	C11	C12	112.6°	109.5°
C13	C11	H10	109.5°	109.5°
C11	C13	H14	109.5°	109.5°
C11	C13	H15	109.5°	109.4°
C11	C13	H16	109.5°	109.5°
O5	P1	O6	106.0°	109.5°
P1	O5	H18	109.5°	114.0°
P1	O6	C11	124.7°	123.0°
O6	C11	C12	108.0°	109.5°
O6	C11	H10	109.8°	109.5°
C12	C11	H10	109.4°	109.4°
C11	C12	H11	109.5°	109.4°
C11	C12	H12	109.5°	109.4°
C11	C12	H13	109.5°	109.5°
H8	C10	H9	109.5°	109.4°
H11	C12	H12	109.4°	109.5°
H11	C12	H13	109.5°	109.5°
H12	C12	H13	109.5°	109.5°
H14	C13	H15	109.5°	109.4°
H14	C13	H16	109.5°	109.5°
H15	C13	H16	109.4°	109.5°
H19	N5	H20	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C2	C3	C1	118.2°	118.7°
O3	C2	C3	H2	124.2°	122.7°
O3	C2	C3	O2	89.1°	142.7°
O3	C2	C3	N1	151.5°	98.5°
O3	C2	C1	H2	127.0°	122.6°
O3	C2	C1	C9	76.4°	118.8°
O3	C2	C1	O1	41.6°	0.1°
O3	C2	C1	H1	167.6°	122.4°
O3	C2	C3	H3	29.0°	23.8°
N3	C7	N4	H6	180.0°	179.2°
C7	N3	C6	N1	179.6°	179.0°
C7	N3	C6	C5	0.2°	0.7°
N3	C7	N4	C8	0.4°	0.9°
C6	N3	C7	N4	0.3°	1.2°
N3	C6	N1	C3	1.2°	0.0°
N3	C6	N1	C5	179.8°	179.8°
N3	C6	N1	C4	179.6°	180.0°
N3	C6	C5	C8	0.5°	0.1°
N3	C6	C5	N2	179.9°	179.8°
C6	N3	C7	H6	179.7°	179.6°
C7	N4	C8	C5	1.2°	0.1°
C7	N4	C8	N5	179.8°	180.0°
C2	C3	O2	N1	124.6°	118.8°
C2	C3	O2	H3	117.3°	118.8°
C2	C3	N1	H3	122.1°	122.3°
C3	C2	C1	H2	117.6°	118.6°
C2	C3	O2	C9	6.6°	40.4°
C2	C3	N1	C6	66.2°	85.0°
C2	C3	N1	C4	115.9°	95.1°
C3	C2	C1	C9	39.0°	0.0°
C3	C2	C1	O1	157.1°	118.7°
C3	C2	C1	H1	77.0°	118.8°
C3	C2	O3	H17	180.0°	176.2°
O2	C3	N1	H3	118.5°	122.4°
O2	C3	C2	C1	29.1°	24.0°
O2	C3	N1	C6	174.4°	159.6°
O2	C3	N1	C4	3.6°	20.3°
C3	O2	C9	C1	18.8°	40.4°
C3	O2	C9	C10	142.7°	159.2°
O2	C3	C2	H2	146.7°	94.7°
C3	O2	C9	H7	97.2°	78.5°
N1	C3	C2	C1	90.3°	142.8°
N1	C3	O2	C9	118.0°	159.3°
C3	N1	C6	C4	178.3°	179.9°
C3	N1	C6	C5	178.9°	179.8°
C3	N1	C4	N2	179.1°	180.0°
N1	C3	C2	H2	27.3°	24.2°
C3	N1	C4	H4	0.9°	0.2°
C2	C1	C9	O2	36.4°	23.8°
C2	C1	C9	O1	121.6°	118.7°
C2	C1	C9	H1	116.1°	118.7°
C2	C1	C9	C10	157.8°	142.7°
C2	C1	O1	H1	125.2°	122.6°
C1	C2	C3	H3	147.2°	94.9°
C2	C1	O1	H5	180.0°	63.3°
C2	C1	C9	H7	80.4°	95.0°
C1	C2	O3	H17	69.2°	61.5°
O2	C9	C1	C10	121.4°	118.9°
O2	C9	C1	H7	116.8°	118.8°
O2	C9	C10	H7	120.6°	122.4°
O2	C9	C1	O1	158.0°	142.5°
O2	C9	C10	O4	63.6°	69.7°
O2	C9	C1	H1	79.7°	94.9°
C9	O2	C3	H3	123.8°	78.4°
O2	C9	C10	H8	176.3°	170.3°
O2	C9	C10	H9	56.5°	50.3°
N1	C6	C5	C8	179.6°	179.9°
N1	C6	C5	N2	0.2°	0.4°
C6	N1	C4	N2	0.8°	0.0°
C6	N1	C3	H3	55.9°	37.2°
C6	N1	C4	H4	179.2°	179.7°
C6	C5	C8	N4	1.3°	0.4°
C5	C6	N1	C4	0.6°	0.3°
C6	C5	C8	N2	179.2°	179.6°
C6	C5	C8	N5	179.8°	179.5°
C6	C5	N2	C4	0.2°	0.4°
N4	C8	C5	N5	178.9°	179.9°
N4	C8	C5	N2	179.5°	180.0°
C8	N4	C7	H6	179.5°	179.9°
N4	C8	N5	H19	0.0°	180.0°
N4	C8	N5	H20	120.0°	0.0°
N1	C4	N2	C5	0.7°	0.2°
N1	C4	N2	H4	180.0°	179.8°
C4	N1	C3	H3	122.0°	142.7°
C1	C9	C10	H7	121.6°	122.3°
C9	C1	O1	H1	121.3°	122.6°
C1	C9	C10	O4	178.6°	175.0°
C9	C1	C2	H2	156.6°	118.6°
C9	C1	O1	H5	66.5°	178.0°
C1	C9	C10	H8	58.5°	55.0°
C1	C9	C10	H9	61.3°	65.0°
C10	C9	C1	O1	80.7°	98.6°
C9	C10	O4	H8	120.1°	120.0°
C9	C10	O4	H9	120.1°	120.0°
C9	C10	O4	P1	178.0°	180.0°
C10	C9	C1	H1	41.6°	24.0°
C9	C10	H8	H9	119.8°	120.0°
O1	C1	C2	H2	85.4°	122.7°
O1	C1	C9	H7	41.2°	23.7°
C8	C5	N2	C4	179.0°	180.0°
C5	C8	N5	H19	178.9°	0.0°
C5	C8	N5	H20	61.1°	179.9°
N2	C5	C8	N5	0.6°	0.1°
C5	N2	C4	H4	179.3°	180.0°
C8	N5	H19	H20	120.0°	180.0°
C10	O4	P1	O7	167.9°	55.0°
C10	O4	P1	O5	61.9°	65.0°
C10	O4	P1	O6	51.1°	175.0°
O4	C10	C9	H7	56.9°	52.7°
O4	C10	H8	H9	119.8°	120.0°
O4	P1	O7	O5	123.9°	120.0°
O4	P1	O7	O6	111.9°	120.0°
O4	P1	O5	O6	111.8°	120.0°
O4	P1	O6	C11	81.1°	175.0°
P1	O4	C10	H8	58.0°	60.0°
P1	O4	C10	H9	61.9°	60.0°
O4	P1	O5	H18	121.6°	60.0°
O7	P1	O5	O6	126.6°	120.0°
O7	P1	O6	C11	31.5°	55.0°
O7	P1	O5	H18	0.0°	180.0°
C13	C11	O6	P1	54.4°	120.0°
C13	C11	O6	C12	121.8°	120.0°
C13	C11	O6	H10	119.0°	120.0°
C13	C11	C12	H10	122.0°	120.0°
C13	C11	C12	H11	180.0°	60.0°
C13	C11	C12	H12	60.0°	60.0°
C13	C11	C12	H13	60.0°	180.0°
C11	C13	H14	H15	120.0°	119.9°
C11	C13	H14	H16	120.0°	120.1°
C11	C13	H15	H16	120.0°	120.0°
O5	P1	O6	C11	163.2°	65.0°
P1	O6	C11	C12	176.1°	120.0°
P1	O6	C11	H10	64.6°	0.0°
O6	P1	O5	H18	126.6°	60.0°
O6	C11	C12	H10	119.5°	120.0°
O6	C11	C12	H11	61.5°	60.1°
O6	C11	C12	H12	58.5°	180.0°
O6	C11	C12	H13	178.5°	60.0°
O6	C11	C13	H14	180.0°	59.9°
O6	C11	C13	H15	60.0°	60.0°
O6	C11	C13	H16	60.0°	180.0°
C11	C12	H11	H12	120.0°	119.9°
C11	C12	H11	H13	120.0°	120.0°
C11	C12	H12	H13	120.0°	120.0°
C12	C11	C13	H14	61.1°	60.1°
C12	C11	C13	H15	58.9°	180.0°
C12	C11	C13	H16	178.8°	60.0°
H1	C1	C2	H2	40.6°	0.2°
H1	C1	O1	H5	54.8°	59.3°
H1	C1	C9	H7	163.5°	146.3°
H2	C2	C3	H3	95.2°	146.5°
H2	C2	O3	H17	56.9°	61.1°
H7	C9	C10	H8	63.1°	67.3°
H7	C9	C10	H9	177.0°	172.7°
H10	C11	C12	H11	58.0°	180.0°
H10	C11	C12	H12	178.0°	60.0°
H10	C11	C12	H13	62.0°	60.0°
H10	C11	C13	H14	60.8°	180.0°
H10	C11	C13	H15	179.2°	60.1°
H10	C11	C13	H16	59.2°	60.0°
H11	C12	H12	H13	120.0°	120.1°
H14	C13	H15	H16	120.0°	120.0°

Release date:	2023-02-15
Definition date:	2023-02-03
Last modified:	2023-02-10
Release status:	REL
Processing site:	RCSB
Derived from:	8G0U