A1A57

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	N4	doub	1.31Å	1.33Å	Aromatic
C6	N3	sing	1.32Å	1.38Å	Aromatic
N4	C7	sing	1.33Å	1.37Å	Aromatic
N3	C5	doub	1.33Å	1.37Å	Aromatic
C7	N5	sing	1.37Å	1.36Å	Aromatic
C7	C8	doub	1.41Å	1.46Å	Aromatic
N5	C10	sing	1.37Å	1.37Å	Aromatic
C5	C8	sing	1.40Å	1.46Å	Aromatic
C5	N2	sing	1.38Å	1.48Å
C4	C3	sing	1.55Å	1.54Å
C4	N2	sing	1.49Å	1.48Å
C8	C9	sing	1.46Å	1.47Å	Aromatic
C3	C2	sing	1.55Å	1.52Å
N2	C11	sing	1.48Å	1.53Å
C10	C9	doub	1.34Å	1.39Å	Aromatic
C2	C11	sing	1.54Å	1.63Å
C2	C1	sing	1.51Å	1.59Å
C2	O2	sing	1.43Å	1.39Å
O1	C1	doub	1.21Å	1.22Å
C1	N1	sing	1.35Å	1.42Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
N1	H2	sing	0.97Å	1.00Å
N1	H1	sing	0.97Å	1.00Å
N5	H11	sing	0.97Å	1.00Å
O2	H3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N4	C6	N3	126.7°	122.7°
C6	N4	C7	111.5°	120.7°
N4	C6	H8	116.6°	118.7°
C6	N3	C5	123.6°	121.0°
N3	C6	H8	116.7°	118.6°
N4	C7	N5	122.9°	134.3°
N4	C7	C8	128.2°	118.5°
N3	C5	C8	115.4°	118.3°
N3	C5	N2	114.5°	120.8°
N5	C7	C8	108.9°	107.2°
C7	N5	C10	111.1°	110.0°
C7	N5	H11	124.4°	125.0°
C7	C8	C5	114.6°	118.7°
C7	C8	C9	102.8°	106.2°
N5	C10	C9	108.2°	109.8°
N5	C10	H10	125.9°	125.1°
C10	N5	H11	124.4°	125.0°
C8	C5	N2	130.1°	120.9°
C5	C8	C9	142.6°	135.1°
C5	N2	C4	117.5°	111.0°
C5	N2	C11	131.5°	111.0°
C3	C4	N2	107.0°	103.2°
C4	C3	C2	103.0°	102.9°
C4	C3	H4	111.1°	110.7°
C4	C3	H5	111.1°	110.9°
C3	C4	H6	110.1°	110.7°
C3	C4	H7	110.1°	110.6°
C4	N2	C11	103.6°	105.8°
N2	C4	H6	110.1°	110.7°
N2	C4	H7	110.1°	110.7°
C8	C9	C10	109.0°	106.8°
C8	C9	H9	125.5°	126.6°
C3	C2	C11	100.5°	105.1°
C3	C2	C1	108.3°	110.3°
C3	C2	O2	112.3°	110.4°
C2	C3	H4	111.0°	110.7°
C2	C3	H5	111.1°	110.8°
N2	C11	C2	107.8°	107.0°
N2	C11	H12	109.9°	109.9°
N2	C11	H13	109.9°	110.1°
C9	C10	H10	125.9°	125.1°
C10	C9	H9	125.5°	126.6°
C11	C2	C1	115.3°	110.3°
C11	C2	O2	110.7°	110.3°
C2	C11	H12	109.9°	109.9°
C2	C11	H13	109.9°	109.9°
C1	C2	O2	109.4°	110.3°
C2	C1	O1	118.9°	120.0°
C2	C1	N1	121.3°	119.9°
C2	O2	H3	109.5°	114.0°
O1	C1	N1	119.8°	120.0°
C1	N1	H2	120.0°	120.0°
C1	N1	H1	120.0°	120.0°
H4	C3	H5	109.5°	110.6°
H6	C4	H7	109.4°	110.7°
H12	C11	H13	109.4°	109.9°
H2	N1	H1	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	C6	N3	H8	180.0°	179.8°
N4	C6	N3	C5	0.2°	0.0°
C6	N4	C7	N5	180.0°	179.9°
C6	N4	C7	C8	0.1°	0.5°
N3	C6	N4	C7	0.1°	0.2°
C6	N3	C5	C8	0.4°	0.1°
C6	N3	C5	N2	179.6°	179.7°
N4	C7	N5	C8	179.9°	179.4°
N4	C7	N5	C10	179.9°	179.4°
N4	C7	C8	C5	0.1°	0.5°
N4	C7	C8	C9	179.8°	179.6°
C7	N4	C6	H8	179.9°	180.0°
N4	C7	N5	H11	0.1°	0.5°
N3	C5	C8	C7	0.3°	0.3°
N3	C5	C8	N2	180.0°	179.6°
N3	C5	N2	C4	15.2°	119.8°
N3	C5	C8	C9	179.8°	179.8°
N3	C5	N2	C11	159.8°	2.4°
C5	N3	C6	H8	179.8°	179.8°
C7	N5	C10	H11	180.0°	179.9°
N5	C7	C8	C5	179.8°	180.0°
N5	C7	C8	C9	0.1°	0.0°
C7	N5	C10	C9	0.2°	0.1°
C7	N5	C10	H10	179.8°	180.0°
C8	C7	N5	C10	0.0°	0.0°
C7	C8	C5	C9	179.5°	179.9°
C7	C8	C5	N2	179.7°	179.9°
C7	C8	C9	C10	0.2°	0.0°
C7	C8	C9	H9	179.8°	179.9°
C8	C7	N5	H11	180.0°	180.0°
N5	C10	C9	C8	0.2°	0.1°
N5	C10	C9	H10	180.0°	180.0°
N5	C10	C9	H9	179.8°	180.0°
C8	C5	N2	C4	164.8°	59.8°
C8	C5	N2	C11	20.2°	177.2°
C5	C8	C9	C10	179.7°	180.0°
C5	C8	C9	H9	0.2°	0.1°
C5	N2	C4	C3	122.8°	159.8°
C5	N2	C4	C11	153.5°	120.6°
N2	C5	C8	C9	0.2°	0.1°
C5	N2	C11	C2	141.1°	145.9°
C5	N2	C4	H6	3.1°	41.3°
C5	N2	C4	H7	117.6°	81.8°
C5	N2	C11	H12	21.4°	94.8°
C5	N2	C11	H13	99.1°	26.4°
C3	C4	N2	H6	119.6°	118.4°
C3	C4	N2	H7	119.6°	118.4°
C4	C3	C2	H4	119.0°	118.3°
C4	C3	C2	H5	119.0°	118.6°
C3	C4	N2	C11	30.7°	39.2°
C4	C3	C2	C11	36.2°	22.0°
C4	C3	C2	C1	85.1°	140.8°
C4	C3	C2	O2	153.9°	97.0°
C4	C3	H4	H5	123.0°	123.4°
C3	C4	H6	H7	121.1°	123.0°
N2	C4	C3	C2	44.4°	37.4°
C4	N2	C11	C2	7.0°	25.3°
N2	C4	C3	H4	163.3°	155.8°
N2	C4	C3	H5	74.6°	81.0°
N2	C4	H6	H7	121.2°	123.2°
C4	N2	C11	H12	126.7°	144.7°
C4	N2	C11	H13	112.8°	94.1°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	H10	179.8°	180.0°
C3	C2	C11	N2	18.9°	1.2°
C3	C2	C11	C1	116.2°	118.9°
C3	C2	C11	O2	118.9°	119.0°
C3	C2	C1	O2	122.8°	122.3°
C3	C2	C1	O1	84.1°	90.7°
C3	C2	C1	N1	94.1°	89.6°
C2	C3	H4	H5	123.0°	123.1°
C2	C3	C4	H6	164.0°	81.0°
C2	C3	C4	H7	75.3°	155.9°
C3	C2	C11	H12	100.9°	120.5°
C3	C2	C11	H13	138.6°	118.3°
C3	C2	O2	H3	180.0°	64.3°
N2	C11	C2	H12	119.8°	119.3°
N2	C11	C2	H13	119.7°	119.5°
N2	C11	C2	C1	97.4°	117.7°
N2	C11	C2	O2	137.8°	120.2°
C11	N2	C4	H6	150.3°	79.2°
C11	N2	C4	H7	88.9°	157.6°
N2	C11	H12	H13	120.7°	121.3°
C9	C10	N5	H11	179.9°	180.0°
C11	C2	C1	O2	125.5°	122.1°
C11	C2	C1	O1	27.6°	25.0°
C11	C2	C1	N1	154.2°	154.7°
C11	C2	C3	H4	155.2°	140.3°
C11	C2	C3	H5	82.7°	96.6°
C2	C11	H12	H13	120.8°	121.1°
C11	C2	O2	H3	68.5°	180.0°
C2	C1	O1	N1	178.2°	179.7°
C1	C2	C3	H4	33.9°	100.8°
C1	C2	C3	H5	155.9°	22.3°
C1	C2	C11	H12	142.9°	1.7°
C1	C2	C11	H13	22.4°	122.8°
C2	C1	N1	H2	178.2°	179.7°
C2	C1	N1	H1	1.8°	0.2°
C1	C2	O2	H3	59.6°	57.9°
O2	C2	C1	O1	153.2°	147.1°
O2	C2	C1	N1	28.6°	32.6°
O2	C2	C3	H4	87.1°	21.4°
O2	C2	C3	H5	35.0°	144.4°
O2	C2	C11	H12	18.0°	120.4°
O2	C2	C11	H13	102.5°	0.7°
O1	C1	N1	H2	0.0°	0.0°
O1	C1	N1	H1	180.0°	179.9°
C1	N1	H2	H1	180.0°	179.9°
H4	C3	C4	H6	77.1°	37.3°
H4	C3	C4	H7	43.7°	85.8°
H5	C3	C4	H6	45.0°	160.5°
H5	C3	C4	H7	165.7°	37.4°
H10	C10	C9	H9	0.3°	0.1°
H10	C10	N5	H11	0.2°	0.0°

Release date:	2025-06-11
Definition date:	2024-09-10
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HCR