Y4Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.50Å
C1	C13	sing	1.52Å	1.39Å
C1	N	doub	1.30Å	1.34Å
C13	C12	sing	1.52Å	1.42Å
N	C2	sing	1.35Å	1.34Å
C12	O2	doub	1.21Å	1.36Å
C12	N4	sing	1.34Å	1.35Å
C2	N4	doub	1.32Å	1.35Å
C2	N1	sing	1.37Å	1.36Å
N1	N2	sing	1.40Å	1.37Å
N2	C3	sing	1.39Å	1.27Å
C3	C4	doub	1.32Å	1.10Å
C4	C5	sing	1.51Å	1.33Å
O	N3	doub	1.22Å	1.22Å
C5	C6	sing	1.51Å	1.46Å
N3	O1	doub	1.22Å	1.22Å
N3	C11	sing	1.48Å	1.46Å
C6	C11	doub	1.38Å	1.40Å	Aromatic
C6	C7	sing	1.38Å	1.40Å	Aromatic
C11	C10	sing	1.38Å	1.38Å	Aromatic
C7	C8	doub	1.38Å	1.38Å	Aromatic
C10	C9	doub	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.38Å	1.37Å	Aromatic
C3	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
N2	H9	sing	0.97Å	1.00Å
N1	H10	sing	0.97Å	1.00Å
C13	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C13	122.1°	121.3°
C	C1	N	116.4°	121.2°
C1	C	H13	109.5°	109.5°
C1	C	H14	109.5°	109.5°
C1	C	H15	109.5°	109.4°
C13	C1	N	121.5°	117.6°
C1	C13	C12	118.1°	116.1°
C1	C13	H11	107.3°	108.2°
C1	C13	H12	107.3°	108.1°
C1	N	C2	116.2°	122.4°
C13	C12	O2	121.6°	121.4°
C13	C12	N4	120.7°	117.1°
C12	C13	H11	107.3°	108.1°
C12	C13	H12	107.3°	108.1°
N	C2	N4	128.1°	125.0°
N	C2	N1	115.1°	117.5°
O2	C12	N4	117.5°	121.5°
C12	N4	C2	115.4°	121.8°
N4	C2	N1	116.8°	117.5°
C2	N1	N2	119.2°	120.0°
C2	N1	H10	120.4°	120.0°
N1	N2	C3	114.8°	120.0°
N1	N2	H9	108.1°	120.0°
N2	N1	H10	120.4°	120.0°
N2	C3	C4	122.9°	120.0°
N2	C3	H1	118.5°	120.0°
C3	N2	H9	108.1°	120.0°
C3	C4	C5	121.5°	120.0°
C4	C3	H1	118.5°	120.0°
C3	C4	H2	119.2°	120.0°
C4	C5	C6	127.4°	109.5°
C5	C4	H2	119.3°	119.9°
C4	C5	H3	104.8°	109.5°
C4	C5	H4	104.8°	109.4°
O	N3	O1	123.5°	120.0°
O	N3	C11	117.7°	120.0°
C5	C6	C11	123.4°	120.0°
C5	C6	C7	120.5°	120.0°
C6	C5	H3	104.8°	109.4°
C6	C5	H4	104.8°	109.5°
O1	N3	C11	118.8°	120.0°
N3	C11	C6	120.1°	120.0°
N3	C11	C10	117.0°	120.0°
C11	C6	C7	116.1°	120.0°
C6	C11	C10	122.9°	120.0°
C6	C7	C8	121.7°	120.0°
C6	C7	H5	119.2°	120.0°
C11	C10	C9	118.9°	120.0°
C11	C10	H8	120.5°	120.0°
C7	C8	C9	120.3°	120.0°
C8	C7	H5	119.1°	120.0°
C7	C8	H6	119.8°	120.0°
C10	C9	C8	120.1°	120.0°
C10	C9	H7	120.0°	120.0°
C9	C10	H8	120.5°	120.0°
C9	C8	H6	119.9°	120.0°
C8	C9	H7	120.0°	120.0°
H3	C5	H4	109.5°	109.5°
H11	C13	H12	109.5°	107.9°
H13	C	H14	109.5°	109.5°
H13	C	H15	109.4°	109.4°
H14	C	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C13	N	179.0°	179.7°
C	C1	C13	C12	178.9°	179.7°
C	C1	N	C2	178.1°	179.7°
C	C1	C13	H11	57.7°	58.0°
C	C1	C13	H12	59.9°	58.6°
C1	C	H13	H14	120.0°	120.1°
C1	C	H13	H15	120.0°	119.9°
C1	C	H14	H15	120.0°	120.0°
C1	C13	C12	H11	121.2°	121.7°
C1	C13	C12	H12	121.2°	121.7°
C13	C1	N	C2	0.9°	0.0°
C1	C13	C12	O2	173.5°	180.0°
C1	C13	C12	N4	1.6°	0.0°
C1	C13	H11	H12	116.1°	116.8°
C13	C1	C	H13	179.0°	89.9°
C13	C1	C	H14	61.0°	149.9°
C13	C1	C	H15	59.0°	30.0°
N	C1	C13	C12	0.1°	0.0°
C1	N	C2	N4	0.0°	0.0°
C1	N	C2	N1	177.9°	180.0°
N	C1	C13	H11	121.3°	121.7°
N	C1	C13	H12	121.1°	121.7°
N	C1	C	H13	0.0°	89.8°
N	C1	C	H14	120.0°	30.3°
N	C1	C	H15	120.0°	150.3°
C13	C12	O2	N4	175.3°	180.0°
C13	C12	N4	C2	2.3°	0.0°
C12	C13	H11	H12	116.1°	116.7°
N	C2	N4	C12	1.6°	0.0°
N	C2	N4	N1	177.9°	179.9°
N	C2	N1	N2	179.5°	180.0°
N	C2	N1	H10	0.5°	0.1°
O2	C12	N4	C2	173.0°	180.0°
O2	C12	C13	H11	65.3°	58.3°
O2	C12	C13	H12	52.3°	58.3°
C12	N4	C2	N1	176.3°	179.9°
N4	C12	C13	H11	119.6°	121.7°
N4	C12	C13	H12	122.8°	121.7°
N4	C2	N1	N2	2.4°	0.0°
N4	C2	N1	H10	177.6°	180.0°
C2	N1	N2	H10	180.0°	180.0°
C2	N1	N2	C3	179.1°	180.0°
C2	N1	N2	H9	58.3°	0.0°
N1	N2	C3	H9	120.8°	180.0°
N1	N2	C3	C4	177.2°	180.0°
N1	N2	C3	H1	2.8°	0.0°
N2	C3	C4	H1	180.0°	180.0°
N2	C3	C4	C5	173.0°	180.0°
N2	C3	C4	H2	7.0°	0.1°
C3	N2	N1	H10	0.9°	0.0°
C3	C4	C5	H2	180.0°	179.9°
C3	C4	C5	C6	177.3°	125.0°
C3	C4	C5	H3	60.3°	115.0°
C3	C4	C5	H4	55.0°	5.0°
C4	C3	N2	H9	62.0°	0.0°
C4	C5	C6	H3	122.4°	120.0°
C4	C5	C6	H4	122.3°	120.0°
C4	C5	C6	C11	179.8°	86.9°
C4	C5	C6	C7	2.1°	92.8°
C5	C4	C3	H1	7.1°	0.0°
C4	C5	H3	H4	112.0°	120.0°
O	N3	O1	C11	179.9°	180.0°
O	N3	C11	C6	28.6°	142.5°
O	N3	C11	C10	148.5°	37.3°
C5	C6	C11	N3	1.0°	0.0°
C5	C6	C11	C7	178.2°	179.7°
C5	C6	C11	C10	178.0°	179.8°
C5	C6	C7	C8	177.3°	180.0°
C6	C5	C4	H2	2.7°	55.0°
C6	C5	H3	H4	112.0°	120.1°
C5	C6	C7	H5	2.7°	0.0°
O1	N3	C11	C6	151.3°	37.5°
O1	N3	C11	C10	31.6°	142.7°
N3	C11	C6	C10	176.9°	179.8°
N3	C11	C6	C7	177.2°	179.7°
N3	C11	C10	C9	176.5°	179.7°
N3	C11	C10	H8	3.4°	0.2°
C11	C6	C7	C8	1.0°	0.3°
C6	C11	C10	C9	0.5°	0.5°
C11	C6	C5	H3	57.8°	33.1°
C11	C6	C5	H4	57.4°	153.1°
C11	C6	C7	H5	179.1°	179.7°
C6	C11	C10	H8	179.5°	180.0°
C7	C6	C11	C10	0.2°	0.5°
C6	C7	C8	H5	180.0°	180.0°
C6	C7	C8	C9	1.0°	0.0°
C7	C6	C5	H3	120.3°	147.2°
C7	C6	C5	H4	124.5°	27.2°
C6	C7	C8	H6	179.0°	179.9°
C11	C10	C9	H8	180.0°	179.5°
C11	C10	C9	C8	0.5°	0.2°
C11	C10	C9	H7	179.5°	179.8°
C7	C8	C9	C10	0.2°	0.0°
C7	C8	C9	H6	180.0°	180.0°
C7	C8	C9	H7	179.8°	180.0°
C10	C9	C8	H7	180.0°	180.0°
C10	C9	C8	H6	179.8°	180.0°
C9	C8	C7	H5	179.0°	180.0°
C8	C9	C10	H8	179.5°	179.7°
H1	C3	C4	H2	173.0°	179.9°
H1	C3	N2	H9	118.0°	180.0°
H2	C4	C5	H3	119.7°	64.9°
H2	C4	C5	H4	125.0°	175.1°
H5	C7	C8	H6	0.9°	0.1°
H6	C8	C9	H7	0.2°	0.0°
H7	C9	C10	H8	0.5°	0.2°
H9	N2	N1	H10	121.7°	180.0°
H13	C	H14	H15	119.9°	119.9°

Release date:	2023-05-24
Definition date:	2023-01-04
Last modified:	2023-05-19
Release status:	REL
Processing site:	RCSB
Derived from:	8FO4