A1PSB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	sing	1.53Å	1.53Å
C12	C13	sing	1.53Å	1.53Å
C11	C10	sing	1.53Å	1.54Å
C13	O2	sing	1.43Å	1.42Å
C1	C2	sing	1.53Å	1.54Å
O2	C14	sing	1.43Å	1.42Å
C10	C14	sing	1.53Å	1.55Å
C10	C2	sing	1.53Å	1.55Å
C2	C3	sing	1.53Å	1.55Å
C2	O1	sing	1.43Å	1.42Å
C3	N1	sing	1.46Å	1.45Å
N1	C4	sing	1.38Å	1.39Å
C4	C9	doub	1.40Å	1.41Å	Aromatic
C4	N2	sing	1.33Å	1.35Å	Aromatic
C8	C9	sing	1.46Å	1.43Å	Aromatic
C8	C7	doub	1.34Å	1.37Å	Aromatic
C9	C6	sing	1.41Å	1.42Å	Aromatic
N2	C5	doub	1.32Å	1.34Å	Aromatic
C7	N4	sing	1.37Å	1.38Å	Aromatic
C6	N4	sing	1.37Å	1.37Å	Aromatic
C6	N3	doub	1.33Å	1.36Å	Aromatic
C5	N3	sing	1.32Å	1.33Å	Aromatic
C13	H18	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C14	H20	sing	1.09Å	1.10Å
C14	H19	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C5	H8	sing	1.08Å	1.08Å
C7	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å
N1	H7	sing	0.97Å	1.00Å
N4	H9	sing	0.97Å	1.00Å
O1	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C12	C13	111.3°	109.2°
C12	C11	C10	109.5°	109.0°
C12	C11	H13	109.5°	109.5°
C12	C11	H14	109.5°	109.7°
C11	C12	H16	109.0°	109.5°
C11	C12	H15	109.0°	109.5°
C12	C13	O2	110.6°	109.4°
C12	C13	H18	109.2°	109.5°
C12	C13	H17	109.2°	109.6°
C13	C12	H16	109.0°	109.5°
C13	C12	H15	109.0°	109.5°
C11	C10	C14	108.5°	109.2°
C11	C10	C2	115.7°	109.5°
C10	C11	H13	109.5°	109.6°
C10	C11	H14	109.5°	109.6°
C11	C10	H12	107.2°	109.5°
C13	O2	C14	113.5°	114.1°
O2	C13	H18	109.2°	109.5°
O2	C13	H17	109.2°	109.5°
C1	C2	C10	111.9°	109.5°
C1	C2	C3	109.3°	109.4°
C1	C2	O1	107.9°	109.5°
C2	C1	H3	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H1	109.5°	109.5°
O2	C14	C10	110.9°	109.4°
O2	C14	H20	109.1°	109.5°
O2	C14	H19	109.1°	109.5°
C14	C10	C2	111.0°	109.5°
C14	C10	H12	107.1°	109.5°
C10	C14	H20	109.1°	109.5°
C10	C14	H19	109.1°	109.5°
C10	C2	C3	111.7°	109.5°
C10	C2	O1	106.5°	109.4°
C2	C10	H12	107.0°	109.6°
C3	C2	O1	109.3°	109.5°
C2	C3	N1	115.5°	109.5°
C2	C3	H6	108.0°	109.5°
C2	C3	H5	108.0°	109.4°
C2	O1	H4	109.5°	114.0°
C3	N1	C4	121.1°	120.0°
N1	C3	H6	107.9°	109.5°
N1	C3	H5	107.9°	109.5°
C3	N1	H7	106.5°	120.0°
N1	C4	C9	122.6°	120.8°
N1	C4	N2	118.6°	120.9°
C4	N1	H7	106.5°	120.0°
C9	C4	N2	118.8°	118.3°
C4	C9	C8	137.0°	135.1°
C4	C9	C6	115.2°	118.6°
C4	N2	C5	119.5°	121.0°
C9	C8	C7	106.4°	106.8°
C8	C9	C6	107.7°	106.3°
C9	C8	H11	126.8°	126.6°
C8	C7	N4	109.4°	109.8°
C8	C7	H10	125.3°	125.1°
C7	C8	H11	126.8°	126.6°
C9	C6	N4	106.8°	107.1°
C9	C6	N3	126.5°	118.6°
N2	C5	N3	128.3°	122.7°
N2	C5	H8	115.9°	118.6°
C7	N4	C6	109.7°	110.1°
N4	C7	H10	125.3°	125.1°
C7	N4	H9	125.2°	124.9°
N4	C6	N3	126.7°	134.3°
C6	N4	H9	125.2°	125.0°
C6	N3	C5	111.6°	120.7°
N3	C5	H8	115.8°	118.6°
H18	C13	H17	109.4°	109.5°
H13	C11	H14	109.5°	109.5°
H16	C12	H15	109.4°	109.6°
H3	C1	H2	109.5°	109.4°
H3	C1	H1	109.4°	109.4°
H2	C1	H1	109.5°	109.4°
H20	C14	H19	109.5°	109.4°
H6	C3	H5	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C12	C13	H16	120.3°	119.8°
C11	C12	C13	H15	120.3°	119.9°
C12	C11	C10	H13	120.0°	119.8°
C12	C11	C10	H14	120.0°	120.0°
C11	C12	C13	O2	54.3°	57.6°
C12	C11	C10	C14	54.3°	57.0°
C12	C11	C10	C2	179.7°	176.9°
C11	C12	C13	H18	174.5°	177.6°
C11	C12	C13	H17	65.9°	62.4°
C12	C11	H13	H14	120.0°	120.3°
C11	C12	H16	H15	119.1°	120.1°
C12	C11	C10	H12	61.0°	63.0°
C13	C12	C11	C10	53.4°	57.0°
C12	C13	O2	H18	120.2°	120.0°
C12	C13	O2	H17	120.2°	120.1°
C12	C13	O2	C14	58.8°	61.2°
C12	C13	H18	H17	119.5°	120.1°
C13	C12	C11	H13	66.6°	62.9°
C13	C12	C11	H14	173.4°	177.0°
C13	C12	H16	H15	119.2°	120.2°
C11	C10	C2	C1	62.8°	60.0°
C11	C10	C14	O2	58.2°	57.6°
C11	C10	C14	C2	128.2°	119.9°
C11	C10	C14	H12	115.3°	119.9°
C11	C10	C2	H12	119.3°	120.1°
C11	C10	C2	C3	60.2°	180.0°
C11	C10	C2	O1	179.5°	60.1°
C10	C11	H13	H14	120.0°	120.2°
C10	C11	C12	H16	66.9°	176.8°
C10	C11	C12	H15	173.7°	63.0°
C11	C10	C14	H20	178.4°	62.4°
C11	C10	C14	H19	62.1°	177.6°
C13	O2	C14	C10	61.6°	61.2°
O2	C13	H18	H17	119.4°	120.0°
O2	C13	C12	H16	66.0°	177.5°
O2	C13	C12	H15	174.6°	62.3°
C13	O2	C14	H20	178.2°	58.8°
C13	O2	C14	H19	58.6°	178.8°
C1	C2	C10	C14	61.4°	179.7°
C1	C2	C10	C3	123.0°	120.0°
C1	C2	C10	O1	117.7°	120.1°
C1	C2	C3	O1	117.9°	120.0°
C1	C2	C3	N1	162.9°	55.0°
C2	C1	H3	H2	120.0°	120.1°
C2	C1	H3	H1	120.0°	120.0°
C2	C1	H2	H1	120.0°	120.0°
C1	C2	C10	H12	177.9°	60.1°
C1	C2	C3	H6	76.2°	65.0°
C1	C2	C3	H5	42.1°	175.0°
C1	C2	O1	H4	180.0°	180.0°
O2	C14	C10	H20	120.2°	120.0°
O2	C14	C10	H19	120.2°	120.0°
O2	C14	C10	C2	173.6°	177.5°
C14	O2	C13	H18	179.0°	178.9°
C14	O2	C13	H17	61.4°	58.9°
O2	C14	C10	H12	57.2°	62.3°
O2	C14	H20	H19	119.3°	120.1°
C14	C10	C2	H12	116.5°	120.2°
C14	C10	C2	C3	175.6°	60.3°
C14	C10	C2	O1	56.3°	59.7°
C14	C10	C11	H13	65.7°	62.9°
C14	C10	C11	H14	174.3°	177.0°
C10	C14	H20	H19	119.3°	120.0°
C10	C2	C3	O1	117.7°	120.0°
C10	C2	C3	N1	38.5°	175.0°
C2	C10	C11	H13	59.7°	57.1°
C2	C10	C11	H14	60.3°	63.1°
C10	C2	C1	H3	180.0°	60.0°
C10	C2	C1	H2	60.0°	180.0°
C10	C2	C1	H1	60.0°	60.0°
C2	C10	C14	H20	53.4°	57.5°
C2	C10	C14	H19	66.1°	62.5°
C10	C2	C3	H6	159.4°	54.9°
C10	C2	C3	H5	82.3°	65.0°
C10	C2	O1	H4	59.8°	60.0°
C2	C3	N1	H6	120.9°	120.0°
C2	C3	N1	H5	120.9°	120.0°
C2	C3	N1	C4	77.9°	180.0°
C3	C2	C1	H3	55.7°	60.0°
C3	C2	C1	H2	175.7°	60.0°
C3	C2	C1	H1	64.3°	180.0°
C3	C2	C10	H12	59.1°	59.9°
C2	C3	H6	H5	117.3°	119.9°
C2	C3	N1	H7	160.4°	0.0°
C3	C2	O1	H4	61.1°	60.0°
O1	C2	C3	N1	79.1°	65.0°
O1	C2	C1	H3	63.1°	180.0°
O1	C2	C1	H2	56.9°	60.0°
O1	C2	C1	H1	176.9°	60.0°
O1	C2	C10	H12	60.2°	179.8°
O1	C2	C3	H6	41.8°	174.9°
O1	C2	C3	H5	160.0°	55.0°
C3	N1	C4	H7	121.6°	180.0°
C3	N1	C4	C9	165.6°	180.0°
C3	N1	C4	N2	15.2°	0.2°
N1	C3	H6	H5	117.2°	120.0°
N1	C4	C9	N2	179.2°	179.8°
N1	C4	C9	C8	1.6°	0.3°
N1	C4	C9	C6	179.6°	179.8°
N1	C4	N2	C5	179.5°	179.7°
C4	N1	C3	H6	43.0°	60.0°
C4	N1	C3	H5	161.2°	60.0°
C4	C9	C8	C6	178.8°	179.9°
C4	C9	C8	C7	179.4°	180.0°
C9	C4	N2	C5	0.2°	0.0°
C4	C9	C6	N4	179.4°	180.0°
C4	C9	C6	N3	1.0°	0.0°
C4	C9	C8	H11	0.5°	0.1°
C9	C4	N1	H7	43.9°	0.0°
N2	C4	C9	C8	179.2°	179.9°
N2	C4	C9	C6	0.4°	0.0°
C4	N2	C5	N3	0.6°	0.1°
C4	N2	C5	H8	179.4°	180.0°
N2	C4	N1	H7	136.8°	179.8°
C9	C8	C7	H11	180.0°	179.9°
C9	C8	C7	N4	0.7°	0.0°
C8	C9	C6	N4	0.3°	0.1°
C8	C9	C6	N3	179.9°	179.9°
C9	C8	C7	H10	179.3°	180.0°
C7	C8	C9	C6	0.6°	0.1°
C8	C7	N4	H10	180.0°	180.0°
C8	C7	N4	C6	0.5°	0.0°
C8	C7	N4	H9	179.5°	179.9°
C9	C6	N4	C7	0.1°	0.0°
C9	C6	N4	N3	179.6°	180.0°
C9	C6	N3	C5	1.2°	0.0°
C6	C9	C8	H11	179.4°	180.0°
C9	C6	N4	H9	179.9°	180.0°
N2	C5	N3	C6	1.1°	0.1°
N2	C5	N3	H8	180.0°	179.9°
C7	N4	C6	H9	180.0°	179.9°
C7	N4	C6	N3	179.5°	180.0°
N4	C7	C8	H11	179.3°	180.0°
N4	C6	N3	C5	179.2°	179.9°
C6	N4	C7	H10	179.5°	180.0°
C6	N3	C5	H8	178.9°	180.0°
N3	C6	N4	H9	0.5°	0.0°
H18	C13	C12	H16	54.2°	62.6°
H18	C13	C12	H15	65.2°	57.6°
H17	C13	C12	H16	173.8°	57.5°
H17	C13	C12	H15	54.4°	177.7°
H13	C11	C12	H16	173.1°	57.0°
H13	C11	C12	H15	53.7°	177.2°
H13	C11	C10	H12	179.0°	177.2°
H14	C11	C12	H16	53.1°	63.2°
H14	C11	C12	H15	66.3°	57.0°
H14	C11	C10	H12	59.0°	57.0°
H3	C1	H2	H1	120.0°	119.9°
H12	C10	C14	H20	63.0°	177.7°
H12	C10	C14	H19	177.4°	57.7°
H6	C3	N1	H7	78.7°	120.0°
H5	C3	N1	H7	39.5°	120.0°
H10	C7	C8	H11	0.7°	0.0°
H10	C7	N4	H9	0.5°	0.1°

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