A1A5K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C4	sing	1.53Å	1.54Å
C3	C2	sing	1.53Å	1.55Å
C4	N1	sing	1.47Å	1.48Å
C2	C1	sing	1.53Å	1.54Å
C2	C16	sing	1.53Å	1.55Å
O1	C5	doub	1.22Å	1.22Å
N1	C5	sing	1.35Å	1.35Å
N1	C15	sing	1.47Å	1.47Å
C5	C6	sing	1.48Å	1.50Å
C16	C15	sing	1.53Å	1.52Å
C16	C17	sing	1.51Å	1.55Å
O3	C17	doub	1.21Å	1.24Å
C17	O4	sing	1.34Å	1.25Å
C11	C6	doub	1.39Å	1.41Å	Aromatic
C11	C10	sing	1.39Å	1.40Å	Aromatic
C6	C7	sing	1.40Å	1.42Å	Aromatic
C10	N2	sing	1.36Å	1.37Å	Aromatic
C10	C9	doub	1.41Å	1.42Å	Aromatic
C7	C8	doub	1.36Å	1.39Å	Aromatic
N2	C12	doub	1.30Å	1.33Å	Aromatic
C9	C8	sing	1.39Å	1.40Å	Aromatic
C9	N3	sing	1.38Å	1.38Å	Aromatic
C12	N3	sing	1.36Å	1.35Å	Aromatic
C12	C13	sing	1.51Å	1.49Å
N3	C14	sing	1.46Å	1.45Å
C13	O2	sing	1.43Å	1.40Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C14	H18	sing	1.09Å	1.10Å
C14	H17	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C15	H20	sing	1.09Å	1.10Å
C15	H19	sing	1.09Å	1.10Å
C16	H2	sing	1.09Å	1.10Å
C2	H1	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å
O2	H15	sing	0.97Å	0.95Å
O4	H21	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	C2	117.9°	109.3°
C3	C4	N1	117.2°	108.8°
C4	C3	H6	107.3°	109.5°
C4	C3	H7	107.3°	109.5°
C3	C4	H8	107.5°	109.6°
C3	C4	H9	107.5°	109.6°
C3	C2	C1	109.4°	109.4°
C3	C2	C16	115.9°	109.5°
C2	C3	H6	107.3°	109.5°
C2	C3	H7	107.3°	109.5°
C3	C2	H1	105.7°	109.4°
C4	N1	C5	118.8°	120.6°
C4	N1	C15	114.6°	118.7°
N1	C4	H8	107.5°	109.5°
N1	C4	H9	107.5°	109.6°
C1	C2	C16	113.6°	109.5°
C2	C1	H4	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
C2	C1	H5	109.5°	109.5°
C1	C2	H1	105.8°	109.5°
C2	C16	C15	108.3°	109.3°
C2	C16	C17	117.3°	109.5°
C2	C16	H2	107.0°	109.6°
C16	C2	H1	105.6°	109.5°
O1	C5	N1	118.5°	120.0°
O1	C5	C6	117.3°	120.0°
C5	N1	C15	126.6°	120.7°
N1	C5	C6	124.2°	120.1°
N1	C15	C16	110.4°	108.8°
N1	C15	H20	109.2°	109.5°
N1	C15	H19	109.2°	109.7°
C5	C6	C11	118.7°	119.9°
C5	C6	C7	121.2°	119.9°
C15	C16	C17	109.3°	109.5°
C16	C15	H20	109.2°	109.6°
C16	C15	H19	109.2°	109.6°
C15	C16	H2	107.4°	109.5°
C16	C17	O3	116.8°	120.0°
C16	C17	O4	119.8°	120.0°
C17	C16	H2	107.1°	109.4°
O3	C17	O4	123.4°	120.0°
C17	O4	H21	109.5°	117.0°
C6	C11	C10	119.1°	119.5°
C11	C6	C7	120.1°	120.2°
C6	C11	H12	120.5°	120.3°
C11	C10	N2	130.8°	133.5°
C11	C10	C9	118.9°	119.5°
C10	C11	H12	120.5°	120.2°
C6	C7	C8	121.7°	120.5°
C6	C7	H10	119.1°	119.7°
N2	C10	C9	110.3°	106.9°
C10	N2	C12	103.5°	109.6°
C10	C9	C8	122.8°	120.1°
C10	C9	N3	105.3°	106.0°
C7	C8	C9	117.3°	120.2°
C8	C7	H10	119.1°	119.8°
C7	C8	H11	121.3°	119.9°
N2	C12	N3	115.3°	110.1°
N2	C12	C13	122.5°	124.9°
C8	C9	N3	131.9°	133.9°
C9	C8	H11	121.3°	119.9°
C9	N3	C12	105.6°	107.4°
C9	N3	C14	125.1°	126.3°
N3	C12	C13	122.3°	124.9°
C12	N3	C14	129.3°	126.3°
C12	C13	O2	111.9°	109.4°
C12	C13	H13	108.9°	109.5°
C12	C13	H14	108.9°	109.5°
N3	C14	H18	109.5°	109.4°
N3	C14	H17	109.4°	109.5°
N3	C14	H16	109.5°	109.5°
O2	C13	H13	108.9°	109.4°
O2	C13	H14	108.9°	109.5°
C13	O2	H15	109.5°	114.0°
H6	C3	H7	109.5°	109.5°
H18	C14	H17	109.5°	109.5°
H18	C14	H16	109.5°	109.4°
H17	C14	H16	109.5°	109.5°
H4	C1	H3	109.5°	109.5°
H4	C1	H5	109.5°	109.5°
H3	C1	H5	109.4°	109.5°
H13	C13	H14	109.5°	109.5°
H20	C15	H19	109.5°	109.6°
H8	C4	H9	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	C2	H6	121.2°	120.0°
C4	C3	C2	H7	121.2°	119.9°
C3	C4	N1	H8	121.1°	119.7°
C3	C4	N1	H9	121.1°	119.8°
C4	C3	C2	C1	138.0°	58.7°
C4	C3	C2	C16	8.1°	61.3°
C3	C4	N1	C5	165.1°	126.4°
C3	C4	N1	C15	16.0°	53.6°
C4	C3	H6	H7	116.2°	120.0°
C4	C3	C2	H1	108.5°	178.6°
C3	C4	H8	H9	116.5°	120.4°
C2	C3	C4	N1	17.5°	54.6°
C3	C2	C1	C16	131.2°	120.1°
C3	C2	C1	H1	113.4°	119.9°
C3	C2	C16	H1	116.6°	120.0°
C3	C2	C16	C15	31.7°	61.4°
C3	C2	C16	C17	156.0°	178.7°
C2	C3	H6	H7	116.2°	120.1°
C3	C2	C1	H4	180.0°	60.0°
C3	C2	C1	H3	60.0°	180.0°
C3	C2	C1	H5	60.0°	60.0°
C3	C2	C16	H2	83.8°	58.6°
C2	C3	C4	H8	138.6°	65.1°
C2	C3	C4	H9	103.7°	174.4°
C4	N1	C5	O1	0.1°	175.9°
C4	N1	C5	C15	178.8°	180.0°
C4	N1	C5	C6	179.2°	4.0°
C4	N1	C15	C16	59.5°	53.6°
N1	C4	C3	H6	138.7°	174.6°
N1	C4	C3	H7	103.7°	65.3°
C4	N1	C15	H20	60.6°	173.4°
C4	N1	C15	H19	179.7°	66.3°
N1	C4	H8	H9	116.5°	120.4°
C1	C2	C16	H1	115.5°	120.0°
C1	C2	C16	C15	96.2°	58.6°
C1	C2	C16	C17	28.1°	61.3°
C1	C2	C3	H6	100.8°	61.3°
C1	C2	C3	H7	16.8°	178.6°
C2	C1	H4	H3	120.0°	119.9°
C2	C1	H4	H5	120.0°	120.0°
C2	C1	H3	H5	120.0°	120.0°
C1	C2	C16	H2	148.3°	178.6°
C2	C16	C15	N1	66.5°	54.7°
C2	C16	C15	C17	128.9°	119.9°
C2	C16	C15	H2	115.3°	120.0°
C2	C16	C17	H2	120.2°	120.1°
C2	C16	C17	O3	93.3°	0.1°
C2	C16	C17	O4	86.4°	179.8°
C16	C2	C3	H6	129.3°	178.7°
C16	C2	C3	H7	113.1°	58.6°
C16	C2	C1	H4	48.8°	60.0°
C16	C2	C1	H3	168.8°	59.9°
C16	C2	C1	H5	71.2°	179.9°
C2	C16	C15	H20	53.7°	174.4°
C2	C16	C15	H19	173.4°	65.3°
O1	C5	N1	C6	179.4°	179.9°
O1	C5	N1	C15	178.6°	4.1°
O1	C5	C6	C11	41.0°	128.6°
O1	C5	C6	C7	137.4°	51.4°
C5	N1	C15	C16	121.7°	126.3°
N1	C5	C6	C11	138.4°	51.4°
N1	C5	C6	C7	43.2°	128.6°
C5	N1	C15	H20	118.2°	6.6°
C5	N1	C15	H19	1.5°	113.8°
C5	N1	C4	H8	73.8°	113.9°
C5	N1	C4	H9	44.0°	6.6°
C15	N1	C5	C6	2.0°	176.0°
N1	C15	C16	H20	120.2°	119.7°
N1	C15	C16	H19	120.1°	120.0°
N1	C15	C16	C17	164.6°	174.6°
N1	C15	H20	H19	119.6°	120.4°
N1	C15	C16	H2	48.8°	65.4°
C15	N1	C4	H8	105.1°	66.2°
C15	N1	C4	H9	137.1°	173.4°
C5	C6	C11	C7	178.4°	180.0°
C5	C6	C11	C10	178.9°	180.0°
C5	C6	C7	C8	179.7°	180.0°
C5	C6	C11	H12	1.1°	0.0°
C5	C6	C7	H10	0.3°	0.0°
C15	C16	C17	H2	116.1°	120.1°
C15	C16	C17	O3	143.0°	120.0°
C15	C16	C17	O4	37.3°	60.0°
C16	C15	H20	H19	119.5°	120.3°
C15	C16	C2	H1	148.3°	178.6°
C16	C17	O3	O4	179.6°	180.0°
C17	C16	C15	H20	75.2°	65.7°
C17	C16	C15	H19	44.5°	54.7°
C17	C16	C2	H1	87.5°	58.7°
C16	C17	O4	H21	179.6°	180.0°
O3	C17	C16	H2	26.9°	120.0°
O3	C17	O4	H21	0.0°	0.0°
O4	C17	C16	H2	153.4°	60.1°
C6	C11	C10	H12	180.0°	180.0°
C6	C11	C10	N2	179.5°	180.0°
C6	C11	C10	C9	0.1°	0.0°
C11	C6	C7	C8	1.3°	0.0°
C11	C6	C7	H10	178.7°	180.0°
C10	C11	C6	C7	0.5°	0.0°
C11	C10	N2	C9	179.6°	180.0°
C11	C10	N2	C12	179.2°	180.0°
C11	C10	C9	C8	0.4°	0.0°
C11	C10	C9	N3	179.1°	180.0°
C6	C7	C8	H10	180.0°	180.0°
C6	C7	C8	C9	1.7°	0.0°
C7	C6	C11	H12	179.5°	180.0°
C6	C7	C8	H11	178.3°	180.0°
N2	C10	C9	C8	179.2°	180.0°
N2	C10	C9	N3	0.6°	0.0°
C10	N2	C12	N3	0.0°	0.0°
C10	N2	C12	C13	179.7°	179.9°
N2	C10	C11	H12	0.5°	0.0°
C10	C9	C8	C7	1.2°	0.0°
C9	C10	N2	C12	0.4°	0.0°
C10	C9	C8	N3	178.2°	179.9°
C10	C9	N3	C12	0.6°	0.1°
C10	C9	N3	C14	179.8°	179.9°
C9	C10	C11	H12	179.9°	180.0°
C10	C9	C8	H11	178.8°	180.0°
C7	C8	C9	H11	180.0°	180.0°
C7	C8	C9	N3	179.4°	180.0°
N2	C12	N3	C9	0.4°	0.1°
N2	C12	N3	C13	179.7°	179.9°
N2	C12	N3	C14	179.5°	179.9°
N2	C12	C13	O2	123.7°	90.0°
N2	C12	C13	H13	3.3°	150.0°
N2	C12	C13	H14	116.0°	29.9°
C8	C9	N3	C12	179.0°	180.0°
C8	C9	N3	C14	1.8°	0.1°
C9	C8	C7	H10	178.4°	180.0°
C9	N3	C12	C14	179.2°	179.9°
C9	N3	C12	C13	179.9°	180.0°
C9	N3	C14	H18	180.0°	90.1°
C9	N3	C14	H17	60.0°	150.0°
C9	N3	C14	H16	60.0°	29.9°
N3	C9	C8	H11	0.6°	0.1°
N3	C12	C13	O2	56.6°	90.1°
C12	N3	C14	H18	1.0°	90.1°
C12	N3	C14	H17	121.0°	29.9°
C12	N3	C14	H16	119.0°	149.9°
N3	C12	C13	H13	177.0°	29.9°
N3	C12	C13	H14	63.7°	150.0°
C13	C12	N3	C14	0.8°	0.2°
C12	C13	O2	H13	120.4°	119.9°
C12	C13	O2	H14	120.4°	120.0°
C12	C13	H13	H14	118.9°	120.1°
C12	C13	O2	H15	180.0°	180.0°
N3	C14	H18	H17	120.0°	120.0°
N3	C14	H18	H16	120.0°	120.0°
N3	C14	H17	H16	120.0°	120.1°
O2	C13	H13	H14	118.9°	120.0°
H6	C3	C2	H1	12.7°	58.7°
H6	C3	C4	H8	100.2°	54.9°
H6	C3	C4	H9	17.5°	65.6°
H7	C3	C2	H1	130.3°	61.5°
H7	C3	C4	H8	17.4°	174.9°
H7	C3	C4	H9	135.2°	54.5°
H18	C14	H17	H16	120.0°	120.0°
H4	C1	H3	H5	120.0°	120.1°
H4	C1	C2	H1	66.6°	180.0°
H3	C1	C2	H1	53.4°	60.1°
H5	C1	C2	H1	173.4°	59.9°
H13	C13	O2	H15	59.7°	60.1°
H14	C13	O2	H15	59.6°	60.0°
H20	C15	C16	H2	168.9°	54.4°
H19	C15	C16	H2	71.3°	174.7°
H2	C16	C2	H1	32.8°	61.3°
H10	C7	C8	H11	1.6°	0.0°

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