YQG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	N6	sing	1.37Å	1.56Å	Aromatic
C19	C20	doub	1.35Å	1.32Å	Aromatic
N6	C18	sing	1.35Å	1.30Å	Aromatic
C20	N7	sing	1.34Å	1.33Å	Aromatic
C18	N7	doub	1.30Å	1.36Å	Aromatic
C18	S1	sing	1.76Å	1.80Å
C10	C9	sing	1.51Å	1.52Å
O3	S1	doub	1.42Å	1.46Å
S1	O2	doub	1.42Å	1.47Å
S1	N5	sing	1.66Å	1.67Å
C9	N4	sing	1.33Å	1.45Å	Aromatic
C9	N3	doub	1.31Å	1.37Å	Aromatic
N4	C8	doub	1.31Å	1.35Å	Aromatic
N5	C14	sing	1.40Å	1.44Å
N3	N2	sing	1.40Å	1.29Å	Aromatic
C13	C14	doub	1.39Å	1.52Å	Aromatic
C13	C12	sing	1.38Å	1.31Å	Aromatic
C14	C15	sing	1.39Å	1.31Å	Aromatic
C8	N2	sing	1.37Å	1.35Å	Aromatic
C8	C6	sing	1.47Å	1.43Å
C17	C12	sing	1.51Å	1.53Å
C12	C11	doub	1.39Å	1.53Å	Aromatic
C1	C6	doub	1.39Å	1.40Å	Aromatic
C1	C2	sing	1.39Å	1.39Å	Aromatic
C15	C16	doub	1.38Å	1.52Å	Aromatic
N2	C7	sing	1.34Å	1.41Å
C11	C16	sing	1.39Å	1.31Å	Aromatic
C11	C2	sing	1.48Å	1.52Å
C6	C5	sing	1.41Å	1.42Å	Aromatic
C2	C3	doub	1.40Å	1.40Å	Aromatic
C7	O1	doub	1.22Å	1.38Å
C7	N1	sing	1.34Å	1.36Å
C5	N1	sing	1.39Å	1.41Å
C5	C4	doub	1.39Å	1.36Å	Aromatic
C3	C4	sing	1.38Å	1.37Å	Aromatic
C3	CL1	sing	1.74Å	1.77Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.08Å	1.08Å
C1	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å
N5	H15	sing	0.97Å	1.00Å
N6	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N6	C19	C20	107.2°	106.8°
C19	N6	C18	104.2°	107.2°
N6	C19	H14	126.4°	126.6°
C19	N6	H16	128.0°	126.4°
C19	C20	N7	105.7°	108.0°
C19	C20	H11	127.2°	126.0°
C20	C19	H14	126.4°	126.6°
N6	C18	N7	107.9°	108.7°
N6	C18	S1	126.7°	125.6°
C18	N6	H16	127.9°	126.4°
C20	N7	C18	115.1°	109.2°
N7	C20	H11	127.2°	126.0°
N7	C18	S1	125.4°	125.7°
C18	S1	O3	111.8°	106.4°
C18	S1	O2	105.4°	106.4°
C18	S1	N5	105.7°	107.2°
C10	C9	N4	123.8°	125.3°
C10	C9	N3	125.1°	125.2°
C9	C10	H3	109.5°	109.4°
C9	C10	H4	109.5°	109.5°
C9	C10	H5	109.5°	109.4°
O3	S1	O2	108.8°	123.2°
O3	S1	N5	115.1°	106.4°
O2	S1	N5	109.6°	106.4°
S1	N5	C14	125.0°	120.0°
S1	N5	H15	105.5°	120.0°
N4	C9	N3	111.1°	109.5°
C9	N4	C8	103.3°	109.7°
C9	N3	N2	102.0°	107.1°
N4	C8	N2	106.4°	107.8°
N4	C8	C6	133.1°	133.8°
N5	C14	C13	120.3°	119.9°
N5	C14	C15	118.1°	120.0°
C14	N5	H15	105.5°	120.0°
N3	N2	C8	117.3°	105.9°
N3	N2	C7	120.5°	133.1°
C14	C13	C12	119.1°	120.0°
C13	C14	C15	121.5°	120.1°
C14	C13	H6	120.4°	120.0°
C13	C12	C17	119.5°	120.0°
C13	C12	C11	119.3°	120.0°
C12	C13	H6	120.4°	120.0°
C14	C15	C16	119.6°	120.1°
C14	C15	H7	120.2°	119.9°
N2	C8	C6	120.5°	118.4°
C8	N2	C7	122.2°	121.0°
C8	C6	C1	121.7°	121.8°
C8	C6	C5	115.4°	118.1°
C17	C12	C11	121.2°	120.0°
C12	C17	H8	109.5°	109.4°
C12	C17	H9	109.5°	109.4°
C12	C17	H10	109.5°	109.5°
C12	C11	C16	121.4°	119.9°
C12	C11	C2	117.2°	120.1°
C6	C1	C2	117.2°	119.5°
C1	C6	C5	122.8°	120.2°
C6	C1	H12	121.4°	120.2°
C1	C2	C11	124.0°	119.9°
C1	C2	C3	118.6°	120.1°
C2	C1	H12	121.4°	120.3°
C15	C16	C11	118.9°	119.9°
C16	C15	H7	120.2°	120.0°
C15	C16	H13	120.5°	120.0°
N2	C7	O1	120.9°	118.7°
N2	C7	N1	120.0°	122.7°
C16	C11	C2	121.4°	120.0°
C11	C16	H13	120.5°	120.0°
C11	C2	C3	117.4°	120.0°
C6	C5	N1	123.3°	118.8°
C6	C5	C4	118.8°	119.8°
C2	C3	C4	124.2°	120.5°
C2	C3	CL1	121.2°	119.7°
O1	C7	N1	119.1°	118.6°
C7	N1	C5	118.6°	121.0°
C7	N1	H1	120.7°	119.5°
N1	C5	C4	117.9°	121.4°
C5	N1	H1	120.7°	119.4°
C5	C4	C3	118.3°	119.9°
C5	C4	H2	120.9°	120.1°
C4	C3	CL1	114.6°	119.7°
C3	C4	H2	120.8°	120.0°
H3	C10	H4	109.5°	109.5°
H3	C10	H5	109.5°	109.4°
H4	C10	H5	109.4°	109.5°
H8	C17	H9	109.5°	109.5°
H8	C17	H10	109.4°	109.5°
H9	C17	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N6	C19	C20	H14	180.0°	179.9°
C19	N6	C18	H16	180.0°	179.9°
N6	C19	C20	N7	0.2°	0.1°
C19	N6	C18	N7	0.5°	0.0°
C19	N6	C18	S1	179.6°	180.0°
N6	C19	C20	H11	179.8°	179.7°
C20	C19	N6	C18	0.2°	0.0°
C19	C20	N7	H11	180.0°	179.7°
C19	C20	N7	C18	0.6°	0.1°
C20	C19	N6	H16	179.8°	180.0°
N6	C18	N7	C20	0.7°	0.0°
N6	C18	N7	S1	179.2°	180.0°
N6	C18	S1	O3	8.1°	96.5°
N6	C18	S1	O2	109.9°	36.5°
N6	C18	S1	N5	134.1°	150.0°
C18	N6	C19	H14	179.8°	179.9°
C20	N7	C18	S1	179.9°	180.0°
N7	C20	C19	H14	179.8°	180.0°
N7	C18	S1	O3	172.9°	83.5°
N7	C18	S1	O2	69.1°	143.5°
N7	C18	S1	N5	46.9°	30.0°
C18	N7	C20	H11	179.4°	179.7°
N7	C18	N6	H16	179.5°	179.9°
C18	S1	O3	O2	115.9°	123.0°
C18	S1	O3	N5	120.6°	114.0°
C18	S1	O2	N5	113.4°	114.0°
C18	S1	N5	C14	83.5°	65.0°
C18	S1	N5	H15	38.6°	115.0°
S1	C18	N6	H16	0.4°	0.0°
C10	C9	N4	N3	178.0°	179.6°
C10	C9	N4	C8	179.3°	180.0°
C10	C9	N3	N2	178.8°	179.8°
C9	C10	H3	H4	120.0°	120.0°
C9	C10	H3	H5	120.0°	119.9°
C9	C10	H4	H5	120.0°	120.0°
O3	S1	O2	N5	126.6°	123.0°
O3	S1	N5	C14	40.4°	178.5°
O3	S1	N5	H15	162.5°	1.5°
O2	S1	N5	C14	163.4°	48.5°
O2	S1	N5	H15	74.5°	131.5°
S1	N5	C14	H15	122.1°	180.0°
S1	N5	C14	C13	57.3°	135.0°
S1	N5	C14	C15	126.3°	45.0°
N4	C9	N3	N2	0.9°	0.6°
C9	N4	C8	N2	1.2°	0.0°
C9	N4	C8	C6	179.8°	179.6°
N4	C9	C10	H3	0.0°	90.0°
N4	C9	C10	H4	120.0°	150.0°
N4	C9	C10	H5	120.0°	29.9°
N3	C9	N4	C8	1.3°	0.4°
C9	N3	N2	C8	0.1°	0.6°
C9	N3	N2	C7	179.2°	179.8°
N3	C9	C10	H3	177.7°	90.5°
N3	C9	C10	H4	57.7°	29.5°
N3	C9	C10	H5	62.3°	149.6°
N4	C8	N2	N3	0.8°	0.4°
N4	C8	N2	C6	179.2°	179.7°
N4	C8	C6	C1	1.9°	0.2°
N4	C8	N2	C7	179.9°	180.0°
N4	C8	C6	C5	179.2°	179.9°
N5	C14	C13	C15	176.2°	180.0°
N5	C14	C13	C12	176.9°	180.0°
N5	C14	C15	C16	177.1°	180.0°
N5	C14	C13	H6	3.1°	0.3°
N5	C14	C15	H7	2.9°	0.0°
N3	N2	C8	C7	179.3°	179.7°
N3	N2	C8	C6	180.0°	180.0°
N3	N2	C7	O1	0.1°	0.4°
N3	N2	C7	N1	180.0°	179.6°
C14	C13	C12	H6	180.0°	179.7°
C14	C13	C12	C17	179.1°	180.0°
C14	C13	C12	C11	0.1°	0.1°
C13	C14	C15	C16	0.8°	0.0°
C13	C14	C15	H7	179.2°	180.0°
C13	C14	N5	H15	179.4°	45.0°
C12	C13	C14	C15	0.7°	0.0°
C13	C12	C17	C11	179.2°	179.9°
C13	C12	C11	C16	0.3°	0.1°
C13	C12	C11	C2	178.4°	180.0°
C13	C12	C17	H8	89.6°	90.1°
C13	C12	C17	H9	150.4°	150.0°
C13	C12	C17	H10	30.4°	30.0°
C14	C15	C16	H7	180.0°	180.0°
C14	C15	C16	C11	0.4°	0.0°
C15	C14	C13	H6	179.3°	179.7°
C14	C15	C16	H13	179.6°	180.0°
C15	C14	N5	H15	4.3°	135.0°
N2	C8	C6	C1	179.1°	179.8°
N2	C8	C6	C5	0.3°	0.3°
C8	N2	C7	O1	179.4°	179.9°
C8	N2	C7	N1	0.7°	0.0°
C8	C6	C1	C5	178.7°	180.0°
C8	C6	C1	C2	179.2°	180.0°
C6	C8	N2	C7	0.7°	0.3°
C8	C6	C5	N1	0.2°	0.0°
C8	C6	C5	C4	179.2°	180.0°
C8	C6	C1	H12	0.8°	0.1°
C17	C12	C11	C16	179.6°	180.0°
C17	C12	C11	C2	2.3°	0.1°
C17	C12	C13	H6	0.9°	0.3°
C12	C17	H8	H9	120.0°	119.9°
C12	C17	H8	H10	120.0°	120.0°
C12	C17	H9	H10	120.0°	120.0°
C12	C11	C2	C1	108.6°	115.1°
C12	C11	C16	C15	0.2°	0.1°
C12	C11	C16	C2	178.0°	179.9°
C12	C11	C2	C3	71.6°	64.9°
C11	C12	C13	H6	179.9°	179.8°
C11	C12	C17	H8	89.6°	90.0°
C11	C12	C17	H9	30.4°	29.9°
C11	C12	C17	H10	150.4°	149.9°
C12	C11	C16	H13	179.8°	179.9°
C6	C1	C2	H12	180.0°	179.9°
C6	C1	C2	C11	179.7°	180.0°
C6	C1	C2	C3	0.0°	0.0°
C1	C6	C5	N1	178.6°	179.9°
C1	C6	C5	C4	0.4°	0.0°
C1	C2	C11	C16	73.2°	65.1°
C1	C2	C11	C3	179.7°	180.0°
C2	C1	C6	C5	0.4°	0.0°
C1	C2	C3	C4	0.5°	0.0°
C1	C2	C3	CL1	179.6°	180.0°
C15	C16	C11	H13	180.0°	180.0°
C15	C16	C11	C2	178.2°	180.0°
N2	C7	O1	N1	180.0°	180.0°
N2	C7	N1	C5	0.2°	0.3°
N2	C7	N1	H1	179.8°	179.9°
C16	C11	C2	C3	106.5°	115.0°
C11	C16	C15	H7	179.6°	180.0°
C11	C2	C3	C4	179.8°	180.0°
C11	C2	C3	CL1	0.1°	0.0°
C11	C2	C1	H12	0.3°	0.0°
C2	C11	C16	H13	1.8°	0.1°
C6	C5	N1	C7	0.3°	0.3°
C6	C5	N1	C4	179.0°	180.0°
C6	C5	C4	C3	0.2°	0.0°
C6	C5	N1	H1	179.8°	179.9°
C6	C5	C4	H2	179.8°	180.0°
C5	C6	C1	H12	179.6°	179.9°
C2	C3	C4	C5	0.6°	0.0°
C2	C3	C4	CL1	179.9°	180.0°
C2	C3	C4	H2	179.4°	180.0°
C3	C2	C1	H12	180.0°	179.9°
O1	C7	N1	C5	179.9°	179.7°
O1	C7	N1	H1	0.1°	0.1°
C7	N1	C5	H1	180.0°	179.6°
C7	N1	C5	C4	179.2°	179.7°
N1	C5	C4	C3	179.2°	180.0°
N1	C5	C4	H2	0.8°	0.0°
C5	C4	C3	H2	180.0°	180.0°
C5	C4	C3	CL1	179.5°	180.0°
C4	C5	N1	H1	0.8°	0.1°
CL1	C3	C4	H2	0.5°	0.0°
H3	C10	H4	H5	120.0°	120.0°
H7	C15	C16	H13	0.4°	0.0°
H8	C17	H9	H10	120.0°	120.1°
H11	C20	C19	H14	0.2°	0.4°
H14	C19	N6	H16	0.2°	0.1°

Release date:	2021-10-13
Definition date:	2021-03-22
Last modified:	2021-10-08
Release status:	REL
Processing site:	RCSB
Derived from:	7M41