A1PRX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.52Å
C2	C3	doub	1.38Å	1.41Å	Aromatic
C2	C16	sing	1.38Å	1.41Å	Aromatic
C3	C4	sing	1.38Å	1.41Å	Aromatic
C16	C6	doub	1.40Å	1.41Å	Aromatic
C4	C5	doub	1.38Å	1.41Å	Aromatic
C6	C5	sing	1.40Å	1.41Å	Aromatic
C6	C7	sing	1.48Å	1.50Å
N1	C7	sing	1.35Å	1.34Å
N1	C8	sing	1.46Å	1.46Å
C7	O1	doub	1.22Å	1.23Å
C8	C9	sing	1.51Å	1.52Å
C14	C15	sing	1.46Å	1.44Å	Aromatic
C14	C13	doub	1.34Å	1.37Å	Aromatic
C9	C15	doub	1.40Å	1.42Å	Aromatic
C9	C10	sing	1.38Å	1.41Å	Aromatic
C15	C12	sing	1.41Å	1.42Å	Aromatic
C10	C11	doub	1.39Å	1.41Å	Aromatic
C13	N3	sing	1.37Å	1.39Å	Aromatic
C12	N3	sing	1.37Å	1.38Å	Aromatic
C12	N2	doub	1.33Å	1.36Å	Aromatic
C11	N2	sing	1.32Å	1.35Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
N1	H7	sing	0.97Å	1.00Å
N3	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	120.1°	119.9°
C1	C2	C16	120.0°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
C2	C1	H2	109.5°	109.5°
C3	C2	C16	119.9°	120.1°
C2	C3	C4	119.9°	120.3°
C2	C3	H4	120.0°	119.8°
C2	C16	C6	120.5°	119.9°
C2	C16	H15	119.7°	120.1°
C3	C4	C5	120.1°	120.2°
C4	C3	H4	120.0°	119.9°
C3	C4	H5	119.9°	119.9°
C16	C6	C5	119.3°	119.7°
C16	C6	C7	119.6°	120.2°
C6	C16	H15	119.8°	120.0°
C4	C5	C6	120.3°	119.8°
C5	C4	H5	120.0°	119.9°
C4	C5	H6	119.9°	120.1°
C5	C6	C7	121.1°	120.1°
C6	C5	H6	119.9°	120.1°
C6	C7	N1	115.8°	120.0°
C6	C7	O1	120.1°	120.0°
C7	N1	C8	125.1°	120.0°
N1	C7	O1	124.1°	120.0°
C7	N1	H7	117.5°	120.0°
N1	C8	C9	113.1°	109.5°
N1	C8	H8	108.5°	109.5°
N1	C8	H9	108.6°	109.5°
C8	N1	H7	117.5°	120.0°
C8	C9	C15	120.2°	121.0°
C8	C9	C10	121.1°	121.0°
C9	C8	H8	108.6°	109.4°
C9	C8	H9	108.5°	109.5°
C15	C14	C13	106.9°	106.9°
C14	C15	C9	136.6°	134.3°
C14	C15	C12	107.6°	106.2°
C15	C14	H14	126.5°	126.5°
C14	C13	N3	108.8°	109.9°
C14	C13	H13	125.6°	125.1°
C13	C14	H14	126.6°	126.6°
C15	C9	C10	118.7°	118.1°
C9	C15	C12	115.7°	119.5°
C9	C10	C11	119.4°	119.4°
C9	C10	H10	120.3°	120.3°
C15	C12	N3	106.1°	107.0°
C15	C12	N2	127.1°	119.8°
C10	C11	N2	124.4°	121.6°
C10	C11	H11	117.8°	119.2°
C11	C10	H10	120.3°	120.3°
C13	N3	C12	110.5°	110.0°
N3	C13	H13	125.6°	125.0°
C13	N3	H12	124.7°	125.0°
N3	C12	N2	126.8°	133.2°
C12	N3	H12	124.7°	125.0°
C12	N2	C11	114.6°	121.7°
N2	C11	H11	117.8°	119.3°
H1	C1	H3	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H3	C1	H2	109.5°	109.5°
H8	C8	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C16	179.8°	180.0°
C1	C2	C3	C4	180.0°	180.0°
C1	C2	C16	C6	179.9°	180.0°
C1	C2	C16	H15	0.1°	0.3°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H3	H2	120.0°	120.0°
C1	C2	C3	H4	0.0°	0.0°
C2	C3	C4	H4	180.0°	180.0°
C3	C2	C16	C6	0.3°	0.0°
C2	C3	C4	C5	0.0°	0.0°
C3	C2	C16	H15	179.7°	179.7°
C3	C2	C1	H1	90.1°	90.0°
C3	C2	C1	H3	149.9°	150.0°
C3	C2	C1	H2	29.9°	30.0°
C2	C3	C4	H5	179.9°	180.0°
C16	C2	C3	C4	0.2°	0.0°
C2	C16	C6	H15	180.0°	179.7°
C2	C16	C6	C5	0.2°	0.0°
C2	C16	C6	C7	179.9°	179.7°
C16	C2	C1	H1	90.1°	90.0°
C16	C2	C1	H3	29.9°	30.0°
C16	C2	C1	H2	149.9°	150.0°
C16	C2	C3	H4	179.8°	180.0°
C3	C4	C5	H5	180.0°	180.0°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	H6	180.0°	179.9°
C16	C6	C5	C4	0.1°	0.0°
C16	C6	C5	C7	179.7°	179.7°
C16	C6	C7	N1	136.8°	180.0°
C16	C6	C7	O1	43.0°	0.0°
C16	C6	C5	H6	179.9°	180.0°
C4	C5	C6	H6	180.0°	179.9°
C4	C5	C6	C7	179.8°	179.7°
C5	C4	C3	H4	179.9°	180.0°
C5	C6	C7	N1	43.5°	0.3°
C5	C6	C7	O1	136.7°	179.7°
C5	C6	C16	H15	179.7°	179.7°
C6	C5	C4	H5	180.0°	180.0°
C6	C7	N1	O1	179.8°	180.0°
C6	C7	N1	C8	179.9°	180.0°
C7	C6	C16	H15	0.0°	0.0°
C7	C6	C5	H6	0.2°	0.2°
C6	C7	N1	H7	0.1°	0.1°
C7	N1	C8	H7	180.0°	179.9°
C7	N1	C8	C9	73.6°	180.0°
C7	N1	C8	H8	47.0°	60.0°
C7	N1	C8	H9	165.9°	60.0°
C8	N1	C7	O1	0.3°	0.0°
N1	C8	C9	H8	120.6°	120.1°
N1	C8	C9	H9	120.5°	120.0°
N1	C8	C9	C15	73.4°	79.9°
N1	C8	C9	C10	106.9°	100.0°
N1	C8	H8	H9	118.3°	120.0°
O1	C7	N1	H7	179.7°	180.0°
C8	C9	C15	C14	0.2°	0.6°
C8	C9	C15	C10	179.7°	179.9°
C8	C9	C15	C12	179.8°	180.0°
C8	C9	C10	C11	179.9°	179.2°
C8	C9	C10	H10	0.1°	0.4°
C9	C8	H8	H9	118.3°	119.9°
C9	C8	N1	H7	106.4°	0.1°
C15	C14	C13	H14	180.0°	179.9°
C14	C15	C9	C12	180.0°	179.4°
C14	C15	C9	C10	179.9°	179.5°
C15	C14	C13	N3	0.1°	0.0°
C14	C15	C12	N3	0.1°	0.4°
C14	C15	C12	N2	179.8°	180.0°
C15	C14	C13	H13	179.9°	179.7°
C13	C14	C15	C9	179.9°	179.7°
C13	C14	C15	C12	0.1°	0.2°
C14	C13	N3	H13	180.0°	179.7°
C14	C13	N3	C12	0.1°	0.3°
C14	C13	N3	H12	179.9°	179.7°
C15	C9	C10	C11	0.2°	0.8°
C9	C15	C12	N3	180.0°	180.0°
C9	C15	C12	N2	0.2°	0.4°
C15	C9	C10	H10	179.8°	179.5°
C9	C15	C14	H14	0.1°	0.2°
C15	C9	C8	H8	166.0°	160.0°
C15	C9	C8	H9	47.1°	40.1°
C10	C9	C15	C12	0.1°	0.0°
C9	C10	C11	H10	180.0°	178.7°
C9	C10	C11	N2	0.0°	1.3°
C9	C10	C11	H11	180.0°	179.6°
C10	C9	C8	H8	13.6°	20.1°
C10	C9	C8	H9	132.5°	140.0°
C15	C12	N3	C13	0.0°	0.5°
C15	C12	N3	N2	179.9°	179.5°
C15	C12	N2	C11	0.4°	0.0°
C12	C15	C14	H14	179.9°	179.7°
C15	C12	N3	H12	180.0°	179.6°
C10	C11	N2	C12	0.3°	0.9°
C10	C11	N2	H11	180.0°	179.1°
C13	N3	C12	H12	180.0°	180.0°
C13	N3	C12	N2	179.9°	180.0°
N3	C13	C14	H14	179.9°	180.0°
N3	C12	N2	C11	179.8°	179.4°
C12	N3	C13	H13	179.9°	180.0°
C12	N2	C11	H11	179.7°	180.0°
N2	C12	N3	H12	0.1°	0.1°
N2	C11	C10	H10	180.0°	180.0°
H13	C13	C14	H14	0.1°	0.4°
H13	C13	N3	H12	0.1°	0.0°
H11	C11	C10	H10	0.0°	0.9°
H1	C1	H3	H2	120.0°	120.0°
H4	C3	C4	H5	0.1°	0.0°
H5	C4	C5	H6	0.0°	0.0°
H8	C8	N1	H7	133.1°	120.0°
H9	C8	N1	H7	14.2°	120.1°

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