A1PSC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	O1	sing	1.44Å	1.42Å
C3	C2	sing	1.52Å	1.50Å
O1	C4	sing	1.44Å	1.42Å
C1	C2	doub	1.31Å	1.35Å
C2	C5	sing	1.52Å	1.50Å
C4	C5	sing	1.54Å	1.53Å
C5	N1	sing	1.46Å	1.45Å
N1	C6	sing	1.38Å	1.40Å
C13	C12	doub	1.38Å	1.41Å	Aromatic
C13	C14	sing	1.39Å	1.41Å	Aromatic
C12	C11	sing	1.39Å	1.41Å	Aromatic
C6	N2	doub	1.33Å	1.35Å	Aromatic
C6	C15	sing	1.40Å	1.41Å	Aromatic
N2	C7	sing	1.32Å	1.34Å	Aromatic
C14	C15	sing	1.47Å	1.44Å	Aromatic
C14	C9	doub	1.40Å	1.43Å	Aromatic
C15	C8	doub	1.40Å	1.42Å	Aromatic
C11	F1	sing	1.35Å	1.35Å
C11	C10	doub	1.38Å	1.41Å	Aromatic
C7	N3	doub	1.32Å	1.34Å	Aromatic
C9	C10	sing	1.39Å	1.40Å	Aromatic
C9	N4	sing	1.38Å	1.39Å	Aromatic
C8	N3	sing	1.33Å	1.36Å	Aromatic
C8	N4	sing	1.37Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C1	H2	sing	1.08Å	1.08Å
C10	H11	sing	1.08Å	1.08Å
C3	H4	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
N1	H8	sing	0.97Å	1.00Å
N4	H10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C3	C2	106.7°	105.1°
C3	O1	C4	107.0°	104.9°
O1	C3	H4	110.2°	110.2°
O1	C3	H3	110.2°	110.3°
C3	C2	C1	126.0°	127.6°
C3	C2	C5	106.4°	104.7°
C2	C3	H4	110.1°	110.3°
C2	C3	H3	110.2°	110.4°
O1	C4	C5	104.7°	104.3°
O1	C4	H5	110.7°	110.3°
O1	C4	H6	110.7°	110.8°
C1	C2	C5	127.6°	127.6°
C2	C1	H1	120.0°	120.0°
C2	C1	H2	120.0°	120.0°
C2	C5	C4	101.4°	104.3°
C2	C5	N1	114.8°	110.5°
C2	C5	H7	109.3°	110.5°
C4	C5	N1	112.1°	110.5°
C5	C4	H5	110.7°	110.4°
C5	C4	H6	110.6°	110.4°
C4	C5	H7	108.9°	110.4°
C5	N1	C6	122.0°	120.0°
N1	C5	H7	109.9°	110.5°
C5	N1	H8	106.3°	120.0°
N1	C6	N2	120.6°	120.8°
N1	C6	C15	120.7°	120.8°
C6	N1	H8	106.3°	120.0°
C12	C13	C14	120.7°	119.8°
C13	C12	C11	120.0°	120.3°
C12	C13	H13	119.7°	120.1°
C13	C12	H12	120.0°	119.9°
C13	C14	C15	135.1°	133.7°
C13	C14	C9	118.5°	120.0°
C14	C13	H13	119.6°	120.0°
C12	C11	F1	120.1°	119.8°
C12	C11	C10	120.3°	120.4°
C11	C12	H12	120.0°	119.8°
N2	C6	C15	118.7°	118.4°
C6	N2	C7	119.1°	120.9°
C6	C15	C14	136.7°	134.6°
C6	C15	C8	116.4°	118.8°
N2	C7	N3	128.6°	122.6°
N2	C7	H9	115.7°	118.7°
C15	C14	C9	106.4°	106.3°
C14	C15	C8	106.9°	106.6°
C14	C9	C10	120.8°	119.4°
C14	C9	N4	109.2°	108.3°
C15	C8	N3	124.9°	118.4°
C15	C8	N4	109.4°	108.5°
F1	C11	C10	119.6°	119.8°
C11	C10	C9	119.7°	120.1°
C11	C10	H11	120.1°	120.0°
C7	N3	C8	112.3°	120.8°
N3	C7	H9	115.7°	118.7°
C10	C9	N4	130.0°	132.3°
C9	C10	H11	120.2°	120.0°
C9	N4	C8	108.2°	110.4°
C9	N4	H10	125.9°	124.9°
N3	C8	N4	125.8°	133.1°
C8	N4	H10	125.9°	124.8°
H1	C1	H2	120.0°	120.0°
H4	C3	H3	109.5°	110.4°
H5	C4	H6	109.4°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C3	C2	H4	119.6°	118.8°
O1	C3	C2	H3	119.6°	118.9°
O1	C3	C2	C1	177.8°	155.8°
O1	C3	C2	C5	3.0°	23.9°
C3	O1	C4	C5	37.7°	39.7°
O1	C3	H4	H3	121.3°	122.1°
C3	O1	C4	H5	156.9°	158.3°
C3	O1	C4	H6	81.5°	79.1°
C2	C3	O1	C4	25.5°	40.1°
C3	C2	C1	C5	179.0°	179.6°
C3	C2	C5	C4	18.4°	0.0°
C3	C2	C5	N1	139.4°	118.8°
C3	C2	C1	H1	179.1°	179.6°
C3	C2	C1	H2	1.0°	0.4°
C2	C3	H4	H3	121.3°	122.2°
C3	C2	C5	H7	96.6°	118.6°
O1	C4	C5	C2	33.9°	23.8°
O1	C4	C5	H5	119.3°	118.5°
O1	C4	C5	H6	119.3°	119.1°
O1	C4	C5	N1	156.8°	95.0°
C4	O1	C3	H4	94.0°	78.8°
C4	O1	C3	H3	145.1°	159.1°
O1	C4	H5	H6	122.2°	122.8°
O1	C4	C5	H7	81.3°	142.4°
C1	C2	C5	C4	160.8°	179.6°
C1	C2	C5	N1	39.8°	60.9°
C2	C1	H1	H2	180.0°	180.0°
C1	C2	C3	H4	62.7°	85.4°
C1	C2	C3	H3	58.2°	36.8°
C1	C2	C5	H7	84.2°	61.7°
C2	C5	C4	N1	122.9°	118.7°
C2	C5	C4	H7	115.2°	118.7°
C2	C5	N1	H7	123.7°	122.6°
C2	C5	N1	C6	145.5°	155.0°
C5	C2	C1	H1	0.0°	0.1°
C5	C2	C1	H2	180.0°	180.0°
C5	C2	C3	H4	116.5°	95.0°
C5	C2	C3	H3	122.6°	142.8°
C2	C5	C4	H5	153.2°	142.3°
C2	C5	C4	H6	85.3°	95.3°
C2	C5	N1	H8	92.8°	25.0°
C4	C5	N1	H7	121.3°	122.5°
C4	C5	N1	C6	99.5°	90.1°
C5	C4	H5	H6	122.2°	122.4°
C4	C5	N1	H8	22.3°	89.9°
C5	N1	C6	H8	121.7°	180.0°
C5	N1	C6	N2	20.4°	0.0°
C5	N1	C6	C15	159.8°	180.0°
N1	C5	C4	H5	83.9°	23.5°
N1	C5	C4	H6	37.6°	146.0°
N1	C6	N2	C15	179.8°	179.9°
N1	C6	N2	C7	180.0°	179.9°
N1	C6	C15	C14	0.0°	0.1°
N1	C6	C15	C8	179.9°	180.0°
C6	N1	C5	H7	21.8°	32.4°
C12	C13	C14	H13	180.0°	179.7°
C13	C12	C11	H12	180.0°	179.9°
C12	C13	C14	C15	179.9°	179.9°
C12	C13	C14	C9	0.3°	0.1°
C13	C12	C11	F1	179.3°	180.0°
C13	C12	C11	C10	0.7°	0.1°
C14	C13	C12	C11	0.9°	0.1°
C13	C14	C15	C6	0.5°	0.2°
C13	C14	C15	C9	179.8°	179.8°
C13	C14	C15	C8	179.6°	179.9°
C13	C14	C9	C10	0.4°	0.1°
C13	C14	C9	N4	179.5°	179.9°
C14	C13	C12	H12	179.1°	180.0°
C12	C11	F1	C10	179.9°	180.0°
C12	C11	C10	C9	0.0°	0.1°
C11	C12	C13	H13	179.2°	179.7°
C12	C11	C10	H11	180.0°	180.0°
N2	C6	C15	C14	179.8°	179.9°
N2	C6	C15	C8	0.1°	0.0°
C6	N2	C7	N3	0.4°	0.0°
C6	N2	C7	H9	179.6°	180.0°
N2	C6	N1	H8	101.4°	180.0°
C15	C6	N2	C7	0.2°	0.0°
C6	C15	C14	C8	179.8°	179.9°
C6	C15	C14	C9	179.7°	180.0°
C6	C15	C8	N3	0.0°	0.1°
C6	C15	C8	N4	180.0°	180.0°
C15	C6	N1	H8	78.4°	0.1°
N2	C7	N3	H9	180.0°	180.0°
N2	C7	N3	C8	0.3°	0.0°
C15	C14	C9	C10	179.4°	180.0°
C15	C14	C9	N4	0.4°	0.1°
C14	C15	C8	N3	179.8°	180.0°
C14	C15	C8	N4	0.1°	0.1°
C15	C14	C13	H13	0.0°	0.4°
C9	C14	C15	C8	0.1°	0.1°
C14	C9	C10	C11	0.6°	0.1°
C14	C9	C10	N4	178.9°	180.0°
C14	C9	N4	C8	0.4°	0.0°
C9	C14	C13	H13	179.7°	179.8°
C14	C9	C10	H11	179.5°	180.0°
C14	C9	N4	H10	179.6°	180.0°
C15	C8	N3	C7	0.1°	0.1°
C15	C8	N4	C9	0.3°	0.0°
C15	C8	N3	N4	179.9°	179.9°
C15	C8	N4	H10	179.7°	180.0°
F1	C11	C10	C9	180.0°	180.0°
F1	C11	C12	H12	0.8°	0.1°
F1	C11	C10	H11	0.0°	0.1°
C11	C10	C9	H11	180.0°	179.9°
C11	C10	C9	N4	179.4°	180.0°
C10	C11	C12	H12	179.3°	180.0°
C7	N3	C8	N4	179.9°	180.0°
C10	C9	N4	C8	179.4°	180.0°
C10	C9	N4	H10	0.6°	0.0°
C9	N4	C8	N3	179.6°	180.0°
C9	N4	C8	H10	180.0°	180.0°
N4	C9	C10	H11	0.6°	0.0°
C8	N3	C7	H9	179.7°	180.0°
N3	C8	N4	H10	0.4°	0.0°
H13	C13	C12	H12	0.8°	0.4°
H5	C4	C5	H7	38.0°	99.0°
H6	C4	C5	H7	159.5°	23.4°
H7	C5	N1	H8	143.6°	147.6°

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