A1A23

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S10	C9	sing	1.76Å	1.74Å	Aromatic
S10	C2	sing	1.75Å	1.74Å	Aromatic
C15	N14	doub	1.32Å	1.34Å	Aromatic
C15	C16	sing	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.51Å	1.50Å
N8	C9	doub	1.34Å	1.33Å	Aromatic
N8	C7	sing	1.31Å	1.34Å	Aromatic
N14	C13	sing	1.33Å	1.34Å	Aromatic
C16	C17	doub	1.38Å	1.38Å	Aromatic
C9	C4	sing	1.40Å	1.40Å	Aromatic
C2	C3	doub	1.32Å	1.36Å	Aromatic
C11	C7	sing	1.51Å	1.50Å
C11	S12	sing	1.81Å	1.82Å
C7	N6	doub	1.32Å	1.34Å	Aromatic
C13	S12	sing	1.76Å	1.76Å
C13	C18	doub	1.41Å	1.41Å	Aromatic
C17	C18	sing	1.40Å	1.39Å	Aromatic
C4	C3	sing	1.45Å	1.45Å	Aromatic
C4	C5	doub	1.42Å	1.42Å	Aromatic
C3	C23	sing	1.51Å	1.50Å
C18	C19	sing	1.47Å	1.51Å
N6	C5	sing	1.32Å	1.35Å	Aromatic
C5	N22	sing	1.38Å	1.34Å
C19	O20	doub	1.22Å	1.26Å
C19	O21	sing	1.35Å	1.25Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
C23	H9	sing	1.09Å	1.10Å
C23	H10	sing	1.09Å	1.10Å
C23	H11	sing	1.09Å	1.10Å
N22	H12	sing	0.97Å	1.00Å
N22	H13	sing	0.97Å	1.00Å
O21	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	S10	C2	91.1°	92.2°
S10	C9	N8	121.6°	131.3°
S10	C9	C4	111.9°	109.6°
S10	C2	C1	118.1°	124.3°
S10	C2	C3	113.1°	111.4°
N14	C15	C16	123.7°	121.2°
C15	N14	C13	117.6°	121.8°
N14	C15	H6	118.2°	119.4°
C15	C16	C17	118.7°	119.6°
C16	C15	H6	118.1°	119.4°
C15	C16	H7	120.6°	120.2°
C1	C2	C3	128.7°	124.3°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C9	N8	C7	113.8°	121.1°
N8	C9	C4	126.5°	119.1°
N8	C7	C11	115.7°	119.0°
N8	C7	N6	126.8°	122.1°
N14	C13	S12	115.5°	119.8°
N14	C13	C18	123.1°	120.3°
C16	C17	C18	119.4°	118.4°
C17	C16	H7	120.7°	120.2°
C16	C17	H8	120.3°	120.8°
C9	C4	C3	112.0°	112.0°
C9	C4	C5	114.3°	117.6°
C2	C3	C4	112.0°	114.8°
C2	C3	C23	123.1°	122.6°
C7	C11	S12	112.0°	109.5°
C11	C7	N6	117.6°	118.9°
C7	C11	H4	108.8°	109.4°
C7	C11	H5	108.8°	109.5°
C11	S12	C13	101.9°	100.0°
S12	C11	H4	108.9°	109.4°
S12	C11	H5	108.9°	109.5°
C7	N6	C5	118.1°	121.2°
S12	C13	C18	121.3°	119.9°
C13	C18	C17	117.5°	118.8°
C13	C18	C19	125.1°	120.6°
C17	C18	C19	117.4°	120.6°
C18	C17	H8	120.3°	120.8°
C3	C4	C5	133.7°	130.4°
C4	C3	C23	124.9°	122.6°
C4	C5	N6	120.5°	118.9°
C4	C5	N22	123.2°	120.6°
C3	C23	H9	109.5°	109.5°
C3	C23	H10	109.5°	109.5°
C3	C23	H11	109.5°	109.4°
C18	C19	O20	117.3°	120.0°
C18	C19	O21	118.7°	120.0°
N6	C5	N22	116.3°	120.5°
C5	N22	H12	109.5°	120.0°
C5	N22	H13	109.4°	120.0°
O20	C19	O21	124.0°	120.0°
C19	O21	H14	109.5°	117.0°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.4°	109.4°
H4	C11	H5	109.5°	109.5°
H9	C23	H10	109.5°	109.5°
H9	C23	H11	109.5°	109.4°
H10	C23	H11	109.5°	109.5°
H12	N22	H13	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	S10	C2	C1	177.6°	179.9°
S10	C9	N8	C4	178.9°	179.6°
S10	C9	N8	C7	178.6°	179.7°
C9	S10	C2	C3	0.1°	0.3°
S10	C9	C4	C3	0.2°	0.3°
S10	C9	C4	C5	178.5°	179.8°
S10	C2	C1	C3	177.3°	179.8°
C2	S10	C9	N8	179.1°	180.0°
C2	S10	C9	C4	0.0°	0.3°
S10	C2	C3	C4	0.2°	0.2°
S10	C2	C3	C23	179.1°	179.7°
S10	C2	C1	H1	0.0°	90.2°
S10	C2	C1	H2	120.0°	29.7°
S10	C2	C1	H3	120.0°	149.7°
N14	C15	C16	H6	180.0°	179.9°
N14	C15	C16	C17	0.0°	0.3°
C15	N14	C13	S12	179.8°	180.0°
C15	N14	C13	C18	0.2°	0.3°
N14	C15	C16	H7	180.0°	180.0°
C16	C15	N14	C13	0.1°	0.1°
C15	C16	C17	H7	180.0°	179.7°
C15	C16	C17	C18	0.1°	0.3°
C15	C16	C17	H8	179.9°	180.0°
C1	C2	C3	C4	177.1°	180.0°
C1	C2	C3	C23	3.5°	0.1°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.1°
C2	C1	H2	H3	120.0°	120.0°
C9	N8	C7	C11	180.0°	179.9°
C9	N8	C7	N6	0.1°	0.0°
N8	C9	C4	C3	179.2°	180.0°
N8	C9	C4	C5	0.5°	0.1°
C7	N8	C9	C4	0.3°	0.1°
N8	C7	C11	N6	179.9°	179.9°
N8	C7	C11	S12	174.0°	90.0°
N8	C7	N6	C5	0.1°	0.0°
N8	C7	C11	H4	53.7°	29.9°
N8	C7	C11	H5	65.6°	150.0°
N14	C13	S12	C11	1.0°	0.3°
N14	C13	S12	C18	179.9°	179.7°
N14	C13	C18	C17	0.2°	0.3°
N14	C13	C18	C19	178.5°	179.8°
C13	N14	C15	H6	179.9°	180.0°
C16	C17	C18	C13	0.2°	0.1°
C16	C17	C18	H8	180.0°	179.8°
C16	C17	C18	C19	178.6°	179.9°
C17	C16	C15	H6	180.0°	179.8°
C9	C4	C3	C2	0.3°	0.0°
C9	C4	C3	C5	178.3°	179.9°
C9	C4	C3	C23	179.1°	180.0°
C9	C4	C5	N6	0.5°	0.0°
C9	C4	C5	N22	177.1°	180.0°
C2	C3	C4	C23	179.3°	180.0°
C2	C3	C4	C5	178.1°	180.0°
C3	C2	C1	H1	177.2°	90.0°
C3	C2	C1	H2	62.7°	150.0°
C3	C2	C1	H3	57.2°	30.1°
C2	C3	C23	H9	89.6°	96.2°
C2	C3	C23	H10	150.4°	143.7°
C2	C3	C23	H11	30.4°	23.7°
C7	C11	S12	H4	120.4°	119.9°
C7	C11	S12	H5	120.4°	120.0°
C7	C11	S12	C13	178.0°	180.0°
C11	C7	N6	C5	179.9°	180.0°
C7	C11	H4	H5	118.8°	120.0°
S12	C11	C7	N6	5.9°	90.1°
C11	S12	C13	C18	179.1°	180.0°
S12	C11	H4	H5	118.9°	120.0°
C7	N6	C5	C4	0.3°	0.0°
C7	N6	C5	N22	177.4°	179.9°
N6	C7	C11	H4	126.3°	150.0°
N6	C7	C11	H5	114.5°	30.0°
S12	C13	C18	C17	179.7°	180.0°
S12	C13	C18	C19	1.6°	0.1°
C13	S12	C11	H4	61.7°	60.0°
C13	S12	C11	H5	57.6°	60.0°
C13	C18	C17	C19	178.8°	179.9°
C13	C18	C19	O20	161.3°	0.1°
C13	C18	C19	O21	18.7°	180.0°
C13	C18	C17	H8	179.8°	179.7°
C17	C18	C19	O20	17.4°	179.9°
C17	C18	C19	O21	162.6°	0.1°
C18	C17	C16	H7	179.9°	180.0°
C3	C4	C5	N6	178.8°	180.0°
C3	C4	C5	N22	1.2°	0.1°
C4	C3	C23	H9	89.6°	83.8°
C4	C3	C23	H10	30.4°	36.3°
C4	C3	C23	H11	150.4°	156.3°
C5	C4	C3	C23	2.6°	0.1°
C4	C5	N6	N22	177.7°	179.9°
C4	C5	N22	H12	177.7°	11.8°
C4	C5	N22	H13	57.7°	168.2°
C3	C23	H9	H10	120.0°	120.1°
C3	C23	H9	H11	120.0°	119.9°
C3	C23	H10	H11	120.0°	120.0°
C18	C19	O20	O21	180.0°	179.9°
C19	C18	C17	H8	1.4°	0.2°
C18	C19	O21	H14	180.0°	180.0°
N6	C5	N22	H12	0.0°	168.1°
N6	C5	N22	H13	120.0°	11.9°
C5	N22	H12	H13	120.0°	180.0°
O20	C19	O21	H14	0.0°	0.0°
H1	C1	H2	H3	120.0°	120.0°
H6	C15	C16	H7	0.0°	0.1°
H7	C16	C17	H8	0.1°	0.3°
H9	C23	H10	H11	120.0°	120.0°

Release date:	2024-09-04
Definition date:	2024-08-22
Last modified:	2024-08-30
Release status:	REL
Processing site:	RCSB
Derived from:	9D9K