A1PSP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C7	doub	1.38Å	1.41Å	Aromatic
C6	C5	sing	1.38Å	1.41Å	Aromatic
C7	C8	sing	1.38Å	1.41Å	Aromatic
C5	C4	doub	1.38Å	1.41Å	Aromatic
C8	C9	doub	1.38Å	1.41Å	Aromatic
C4	C9	sing	1.38Å	1.41Å	Aromatic
C4	C3	sing	1.51Å	1.52Å
C3	C2	sing	1.53Å	1.54Å
O2	C1	doub	1.21Å	1.25Å
C2	C1	sing	1.51Å	1.54Å
C2	N1	sing	1.47Å	1.47Å
C1	O1	sing	1.34Å	1.25Å
N1	C10	sing	1.38Å	1.40Å
C10	C15	doub	1.40Å	1.42Å	Aromatic
C10	N2	sing	1.33Å	1.36Å	Aromatic
C14	C15	sing	1.46Å	1.44Å	Aromatic
C14	C13	doub	1.34Å	1.38Å	Aromatic
C15	C12	sing	1.41Å	1.41Å	Aromatic
N2	C11	doub	1.32Å	1.33Å	Aromatic
C13	N4	sing	1.37Å	1.39Å	Aromatic
C11	N3	sing	1.32Å	1.34Å	Aromatic
C12	N4	sing	1.37Å	1.38Å	Aromatic
C12	N3	doub	1.33Å	1.36Å	Aromatic
C13	H12	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C5	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
N1	H9	sing	0.97Å	1.00Å
N4	H11	sing	0.97Å	1.00Å
O1	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	C5	119.7°	120.0°
C6	C7	C8	120.0°	119.9°
C7	C6	H5	120.1°	119.9°
C6	C7	H6	120.0°	120.0°
C6	C5	C4	120.4°	120.0°
C6	C5	H4	119.8°	120.0°
C5	C6	H5	120.1°	120.0°
C7	C8	C9	120.3°	120.1°
C8	C7	H6	120.0°	120.0°
C7	C8	H7	119.9°	120.0°
C5	C4	C9	119.6°	120.0°
C5	C4	C3	120.5°	120.0°
C4	C5	H4	119.8°	120.0°
C8	C9	C4	120.0°	120.0°
C9	C8	H7	119.9°	119.9°
C8	C9	H8	120.0°	120.0°
C9	C4	C3	120.0°	120.0°
C4	C9	H8	120.0°	120.0°
C4	C3	C2	112.7°	109.5°
C4	C3	H3	108.6°	109.5°
C4	C3	H2	108.6°	109.5°
C3	C2	C1	111.3°	109.5°
C3	C2	N1	110.1°	109.5°
C3	C2	H1	107.7°	109.4°
C2	C3	H3	108.7°	109.5°
C2	C3	H2	108.7°	109.4°
O2	C1	C2	117.2°	120.0°
O2	C1	O1	124.0°	120.0°
C1	C2	N1	111.4°	109.5°
C2	C1	O1	118.8°	120.0°
C1	C2	H1	107.7°	109.5°
C2	N1	C10	122.7°	120.0°
N1	C2	H1	108.6°	109.4°
C2	N1	H9	106.0°	120.0°
C1	O1	H14	109.5°	117.0°
N1	C10	C15	121.0°	120.8°
N1	C10	N2	119.6°	120.8°
C10	N1	H9	106.1°	120.0°
C15	C10	N2	119.4°	118.4°
C10	C15	C14	137.4°	135.1°
C10	C15	C12	115.1°	118.7°
C10	N2	C11	118.9°	121.0°
C15	C14	C13	106.9°	106.8°
C14	C15	C12	107.5°	106.2°
C15	C14	H13	126.5°	126.6°
C14	C13	N4	108.7°	109.8°
C14	C13	H12	125.6°	125.1°
C13	C14	H13	126.5°	126.6°
C15	C12	N4	106.8°	107.1°
C15	C12	N3	125.8°	118.5°
N2	C11	N3	128.1°	122.6°
N2	C11	H10	116.0°	118.7°
C13	N4	C12	110.1°	110.0°
N4	C13	H12	125.6°	125.1°
C13	N4	H11	125.0°	125.0°
C11	N3	C12	112.7°	120.8°
N3	C11	H10	115.9°	118.7°
N4	C12	N3	127.4°	134.3°
C12	N4	H11	124.9°	125.0°
H3	C3	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	C5	H5	180.0°	179.9°
C6	C7	C8	H6	180.0°	180.0°
C7	C6	C5	C4	0.4°	0.1°
C6	C7	C8	C9	0.4°	0.1°
C7	C6	C5	H4	179.6°	180.0°
C6	C7	C8	H7	179.6°	180.0°
C5	C6	C7	C8	0.2°	0.1°
C6	C5	C4	H4	180.0°	179.9°
C6	C5	C4	C9	0.7°	0.1°
C6	C5	C4	C3	179.7°	179.7°
C5	C6	C7	H6	179.7°	179.9°
C7	C8	C9	H7	180.0°	180.0°
C7	C8	C9	C4	0.6°	0.1°
C8	C7	C6	H5	179.8°	180.0°
C7	C8	C9	H8	179.4°	179.8°
C5	C4	C9	C8	0.8°	0.1°
C5	C4	C9	C3	179.0°	179.8°
C5	C4	C3	C2	103.7°	89.8°
C5	C4	C3	H3	16.8°	150.2°
C5	C4	C3	H2	135.8°	30.2°
C4	C5	C6	H5	179.6°	180.0°
C5	C4	C9	H8	179.3°	179.8°
C8	C9	C4	H8	180.0°	179.7°
C8	C9	C4	C3	179.8°	179.7°
C9	C8	C7	H6	179.6°	179.9°
C9	C4	C3	C2	75.3°	90.0°
C9	C4	C3	H3	164.2°	30.0°
C9	C4	C3	H2	45.2°	150.0°
C9	C4	C5	H4	179.3°	180.0°
C4	C9	C8	H7	179.4°	180.0°
C4	C3	C2	H3	120.5°	120.1°
C4	C3	C2	H2	120.5°	120.0°
C4	C3	C2	C1	177.1°	175.0°
C4	C3	C2	N1	58.9°	64.9°
C4	C3	C2	H1	59.3°	55.0°
C4	C3	H3	H2	118.5°	120.0°
C3	C4	C5	H4	0.3°	0.2°
C3	C4	C9	H8	0.2°	0.0°
C3	C2	C1	O2	46.3°	120.0°
C3	C2	C1	N1	123.2°	120.0°
C3	C2	C1	H1	117.8°	120.0°
C3	C2	N1	H1	117.7°	119.9°
C3	C2	C1	O1	133.9°	60.0°
C3	C2	N1	C10	160.8°	155.0°
C2	C3	H3	H2	118.6°	120.0°
C3	C2	N1	H9	39.0°	25.1°
O2	C1	C2	O1	179.8°	180.0°
O2	C1	C2	N1	169.5°	0.0°
O2	C1	C2	H1	71.5°	120.0°
O2	C1	O1	H14	0.0°	0.0°
C1	C2	N1	H1	118.4°	120.0°
C1	C2	N1	C10	75.3°	84.9°
C1	C2	C3	H3	62.4°	54.9°
C1	C2	C3	H2	56.6°	65.0°
C1	C2	N1	H9	162.9°	95.0°
C2	C1	O1	H14	179.8°	180.0°
N1	C2	C1	O1	10.7°	180.0°
C2	N1	C10	H9	121.8°	179.9°
C2	N1	C10	C15	171.5°	180.0°
C2	N1	C10	N2	8.3°	0.1°
N1	C2	C3	H3	61.5°	175.0°
N1	C2	C3	H2	179.4°	55.0°
O1	C1	C2	H1	108.4°	60.0°
N1	C10	C15	N2	179.8°	179.9°
N1	C10	C15	C14	0.3°	0.6°
N1	C10	C15	C12	179.3°	179.9°
N1	C10	N2	C11	179.5°	180.0°
C10	N1	C2	H1	43.1°	35.1°
C10	C15	C14	C12	179.0°	179.5°
C10	C15	C14	C13	179.9°	179.7°
C15	C10	N2	C11	0.3°	0.1°
C10	C15	C12	N4	179.5°	180.0°
C10	C15	C12	N3	0.6°	0.0°
C10	C15	C14	H13	0.1°	0.2°
C15	C10	N1	H9	66.7°	0.1°
N2	C10	C15	C14	179.5°	179.5°
N2	C10	C15	C12	0.5°	0.0°
C10	N2	C11	N3	0.1°	0.0°
C10	N2	C11	H10	180.0°	179.9°
N2	C10	N1	H9	113.5°	180.0°
C15	C14	C13	H13	180.0°	180.0°
C15	C14	C13	N4	1.1°	0.0°
C14	C15	C12	N4	0.3°	0.4°
C14	C15	C12	N3	179.8°	179.6°
C15	C14	C13	H12	178.9°	179.7°
C13	C14	C15	C12	0.8°	0.2°
C14	C13	N4	H12	180.0°	179.7°
C14	C13	N4	C12	1.0°	0.3°
C14	C13	N4	H11	179.1°	179.7°
C15	C12	N4	C13	0.4°	0.4°
C15	C12	N3	C11	0.3°	0.0°
C15	C12	N4	N3	179.9°	180.0°
C12	C15	C14	H13	179.2°	179.7°
C15	C12	N4	H11	179.6°	179.6°
N2	C11	N3	H10	180.0°	180.0°
N2	C11	N3	C12	0.1°	0.0°
C13	N4	C12	H11	180.0°	180.0°
C13	N4	C12	N3	179.5°	179.6°
N4	C13	C14	H13	178.9°	180.0°
C11	N3	C12	N4	179.9°	180.0°
C12	N4	C13	H12	179.0°	180.0°
C12	N3	C11	H10	180.0°	180.0°
N3	C12	N4	H11	0.5°	0.5°
H12	C13	C14	H13	1.1°	0.3°
H12	C13	N4	H11	0.9°	0.0°
H1	C2	C3	H3	179.8°	65.1°
H1	C2	C3	H2	61.1°	175.0°
H1	C2	N1	H9	78.7°	145.0°
H4	C5	C6	H5	0.4°	0.1°
H5	C6	C7	H6	0.2°	0.0°
H6	C7	C8	H7	0.4°	0.0°
H7	C8	C9	H8	0.6°	0.3°

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