A1PRY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C2	sing	1.53Å	1.54Å
C5	C4	sing	1.53Å	1.55Å
C2	C1	sing	1.53Å	1.54Å
C2	C4	sing	1.53Å	1.56Å
C6	C4	sing	1.53Å	1.56Å
C6	N1	sing	1.46Å	1.46Å
C4	O1	sing	1.43Å	1.43Å
N1	C7	sing	1.38Å	1.40Å
C7	C12	doub	1.40Å	1.41Å	Aromatic
C7	N2	sing	1.33Å	1.35Å	Aromatic
C11	C12	sing	1.46Å	1.43Å	Aromatic
C11	C10	doub	1.34Å	1.37Å	Aromatic
C12	C9	sing	1.41Å	1.42Å	Aromatic
N2	C8	doub	1.32Å	1.34Å	Aromatic
C10	N4	sing	1.37Å	1.38Å	Aromatic
C8	N3	sing	1.31Å	1.33Å	Aromatic
C9	N4	sing	1.37Å	1.37Å	Aromatic
C9	N3	doub	1.33Å	1.36Å	Aromatic
C11	H18	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C10	H17	sing	1.08Å	1.08Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C8	H15	sing	1.08Å	1.08Å
N1	H14	sing	0.97Å	1.00Å
N4	H16	sing	0.97Å	1.00Å
O1	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C1	108.8°	109.5°
C3	C2	C4	115.0°	109.5°
C3	C2	H4	106.9°	109.4°
C2	C3	H5	109.5°	109.4°
C2	C3	H7	109.5°	109.4°
C2	C3	H6	109.5°	109.5°
C5	C4	C2	110.4°	109.5°
C5	C4	C6	110.0°	109.5°
C5	C4	O1	108.2°	109.5°
C4	C5	H8	109.5°	109.4°
C4	C5	H9	109.5°	109.5°
C4	C5	H10	109.5°	109.5°
C1	C2	C4	112.3°	109.4°
C2	C1	H2	109.5°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	106.8°	109.5°
C2	C4	C6	111.2°	109.5°
C2	C4	O1	107.1°	109.4°
C4	C2	H4	106.6°	109.5°
C4	C6	N1	115.7°	109.5°
C6	C4	O1	109.9°	109.5°
C4	C6	H12	107.9°	109.5°
C4	C6	H13	107.9°	109.4°
C6	N1	C7	122.8°	120.0°
N1	C6	H12	107.9°	109.5°
N1	C6	H13	107.9°	109.5°
C6	N1	H14	106.1°	120.1°
C4	O1	H11	109.5°	114.1°
N1	C7	C12	122.2°	120.9°
N1	C7	N2	119.3°	120.8°
C7	N1	H14	106.1°	119.9°
C12	C7	N2	118.5°	118.3°
C7	C12	C11	136.5°	135.1°
C7	C12	C9	115.1°	118.7°
C7	N2	C8	119.9°	121.0°
C12	C11	C10	106.1°	106.8°
C11	C12	C9	108.3°	106.2°
C12	C11	H18	127.0°	126.7°
C11	C10	N4	109.6°	109.8°
C10	C11	H18	126.9°	126.6°
C11	C10	H17	125.2°	125.1°
C12	C9	N4	106.1°	107.2°
C12	C9	N3	126.9°	118.5°
N2	C8	N3	128.4°	122.8°
N2	C8	H15	115.8°	118.6°
C10	N4	C9	109.9°	110.0°
N4	C10	H17	125.2°	125.1°
C10	N4	H16	125.0°	124.9°
C8	N3	C9	111.2°	120.7°
N3	C8	H15	115.8°	118.6°
N4	C9	N3	127.0°	134.3°
C9	N4	H16	125.1°	125.1°
H2	C1	H1	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H1	C1	H3	109.5°	109.4°
H5	C3	H7	109.4°	109.5°
H5	C3	H6	109.5°	109.5°
H7	C3	H6	109.5°	109.5°
H8	C5	H9	109.5°	109.5°
H8	C5	H10	109.5°	109.5°
H9	C5	H10	109.5°	109.5°
H12	C6	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C4	C5	66.5°	60.0°
C3	C2	C1	C4	128.4°	120.0°
C3	C2	C1	H4	115.0°	120.0°
C3	C2	C4	H4	118.2°	120.0°
C3	C2	C4	C6	55.9°	NaN°
C3	C2	C4	O1	175.9°	60.0°
C3	C2	C1	H2	180.0°	60.0°
C3	C2	C1	H1	60.0°	60.1°
C3	C2	C1	H3	60.0°	180.0°
C2	C3	H5	H7	120.0°	119.9°
C2	C3	H5	H6	120.0°	120.0°
C2	C3	H7	H6	120.0°	120.0°
C5	C4	C2	C1	58.6°	60.0°
C5	C4	C2	C6	122.3°	120.0°
C5	C4	C2	O1	117.6°	120.0°
C5	C4	C6	O1	119.0°	120.0°
C5	C4	C6	N1	166.8°	55.0°
C5	C4	C2	H4	175.3°	180.0°
C4	C5	H8	H9	120.0°	120.0°
C4	C5	H8	H10	120.0°	120.0°
C4	C5	H9	H10	120.0°	120.0°
C5	C4	C6	H12	72.2°	65.0°
C5	C4	C6	H13	45.9°	175.0°
C5	C4	O1	H11	180.0°	180.0°
C1	C2	C4	H4	116.7°	120.0°
C1	C2	C4	C6	179.0°	60.0°
C1	C2	C4	O1	59.0°	180.0°
C2	C1	H2	H1	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C1	C2	C3	H5	180.0°	60.0°
C1	C2	C3	H7	60.0°	180.0°
C1	C2	C3	H6	60.0°	60.0°
C2	C4	C6	O1	118.4°	120.0°
C2	C4	C6	N1	44.3°	175.0°
C4	C2	C1	H2	51.6°	60.0°
C4	C2	C1	H1	171.6°	179.9°
C4	C2	C1	H3	68.4°	60.0°
C4	C2	C3	H5	53.1°	60.0°
C4	C2	C3	H7	66.9°	60.0°
C4	C2	C3	H6	173.1°	180.0°
C2	C4	C5	H8	180.0°	60.0°
C2	C4	C5	H9	60.0°	180.0°
C2	C4	C5	H10	60.0°	60.0°
C2	C4	C6	H12	165.2°	55.0°
C2	C4	C6	H13	76.6°	65.0°
C2	C4	O1	H11	60.9°	60.0°
C4	C6	N1	H12	120.9°	120.0°
C4	C6	N1	H13	120.9°	120.0°
C4	C6	N1	C7	73.3°	180.0°
C6	C4	C2	H4	62.4°	60.0°
C6	C4	C5	H8	57.0°	60.0°
C6	C4	C5	H9	177.0°	60.0°
C6	C4	C5	H10	63.0°	180.0°
C4	C6	H12	H13	117.2°	120.0°
C4	C6	N1	H14	164.8°	0.0°
C6	C4	O1	H11	59.9°	60.0°
N1	C6	C4	O1	74.1°	65.0°
C6	N1	C7	H14	121.9°	179.9°
C6	N1	C7	C12	176.0°	180.0°
C6	N1	C7	N2	4.1°	0.1°
N1	C6	H12	H13	117.1°	120.0°
O1	C4	C2	H4	57.7°	60.0°
O1	C4	C5	H8	63.0°	180.0°
O1	C4	C5	H9	57.0°	60.0°
O1	C4	C5	H10	177.0°	60.0°
O1	C4	C6	H12	46.8°	175.0°
O1	C4	C6	H13	165.0°	55.0°
N1	C7	C12	N2	179.9°	179.9°
N1	C7	C12	C11	1.3°	0.1°
N1	C7	C12	C9	179.8°	180.0°
N1	C7	N2	C8	179.9°	179.9°
C7	N1	C6	H12	47.6°	59.9°
C7	N1	C6	H13	165.8°	60.1°
C7	C12	C11	C9	178.6°	179.9°
C7	C12	C11	C10	179.8°	180.0°
C12	C7	N2	C8	0.2°	0.0°
C7	C12	C9	N4	179.6°	180.0°
C7	C12	C9	N3	1.1°	0.1°
C7	C12	C11	H18	0.2°	0.3°
C12	C7	N1	H14	54.1°	0.1°
N2	C7	C12	C11	178.8°	180.0°
N2	C7	C12	C9	0.2°	0.1°
C7	N2	C8	N3	1.0°	0.0°
C7	N2	C8	H15	179.0°	180.0°
N2	C7	N1	H14	126.0°	180.0°
C12	C11	C10	H18	180.0°	179.7°
C12	C11	C10	N4	1.3°	0.1°
C11	C12	C9	N4	0.7°	0.1°
C11	C12	C9	N3	180.0°	180.0°
C12	C11	C10	H17	178.7°	180.0°
C10	C11	C12	C9	1.2°	0.1°
C11	C10	N4	H17	180.0°	180.0°
C11	C10	N4	C9	0.9°	0.0°
C11	C10	N4	H16	179.1°	180.0°
C12	C9	N4	C10	0.1°	0.0°
C12	C9	N3	C8	1.6°	0.0°
C12	C9	N4	N3	179.3°	179.9°
C9	C12	C11	H18	178.8°	179.7°
C12	C9	N4	H16	179.9°	180.0°
N2	C8	N3	H15	180.0°	179.9°
N2	C8	N3	C9	1.6°	0.0°
C10	N4	C9	H16	180.0°	180.0°
C10	N4	C9	N3	179.2°	179.9°
N4	C10	C11	H18	178.7°	179.7°
C8	N3	C9	N4	179.2°	179.9°
C9	N4	C10	H17	179.1°	180.0°
C9	N3	C8	H15	178.4°	180.0°
N3	C9	N4	H16	0.8°	0.1°
H18	C11	C10	H17	1.3°	0.3°
H2	C1	H1	H3	120.0°	120.0°
H2	C1	C2	H4	65.0°	180.0°
H1	C1	C2	H4	55.0°	59.9°
H3	C1	C2	H4	175.0°	60.0°
H17	C10	N4	H16	0.9°	0.0°
H4	C2	C3	H5	65.0°	180.0°
H4	C2	C3	H7	175.0°	60.0°
H4	C2	C3	H6	55.0°	60.0°
H5	C3	H7	H6	120.0°	120.0°
H8	C5	H9	H10	120.0°	120.0°
H12	C6	N1	H14	74.3°	120.0°
H13	C6	N1	H14	43.9°	120.0°

Release date:	2026-11-04
Definition date:	2026-09-04
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15QD