A1JPE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.25Å
C1	O2	sing	1.34Å	1.26Å
C2	C1	sing	1.51Å	1.51Å
C3	C2	sing	1.53Å	1.53Å
C4	C3	sing	1.53Å	1.52Å
N1	C4	sing	1.46Å	1.47Å
N1	N2	sing	1.29Å	1.41Å	Aromatic
C6	N1	sing	1.35Å	1.34Å	Aromatic
N2	N3	doub	1.29Å	1.42Å	Aromatic
N3	C5	sing	1.34Å	1.36Å	Aromatic
C5	C6	doub	1.35Å	1.39Å	Aromatic
C7	C5	sing	1.51Å	1.48Å
C7	C8	sing	1.54Å	1.53Å
O5	C7	sing	1.44Å	1.44Å
O3	C8	sing	1.43Å	1.43Å
C8	C9	sing	1.55Å	1.52Å
O4	C9	sing	1.43Å	1.44Å
C9	C10	sing	1.55Å	1.53Å
C10	O5	sing	1.44Å	1.43Å
N4	C10	sing	1.46Å	1.50Å
N4	C11	sing	1.36Å	1.35Å	Aromatic
C13	N4	sing	1.37Å	1.35Å	Aromatic
C11	N5	doub	1.30Å	1.36Å	Aromatic
N5	C12	sing	1.35Å	1.36Å	Aromatic
C12	C13	doub	1.41Å	1.40Å	Aromatic
C12	C15	sing	1.41Å	1.40Å	Aromatic
N6	C13	sing	1.33Å	1.36Å	Aromatic
C14	N6	doub	1.32Å	1.36Å	Aromatic
N7	C14	sing	1.32Å	1.35Å	Aromatic
C15	N7	doub	1.33Å	1.37Å	Aromatic
N8	C15	sing	1.38Å	1.36Å
C10	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
N8	H16	sing	0.97Å	1.00Å
N8	H17	sing	0.97Å	1.00Å
O2	H18	sing	0.97Å	0.95Å
O3	H10	sing	0.97Å	0.95Å
O4	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	122.9°	120.0°
O1	C1	C2	118.2°	120.0°
O2	C1	C2	118.9°	120.0°
C1	O2	H18	109.5°	117.0°
C1	C2	C3	109.9°	109.5°
C1	C2	H1	109.4°	109.5°
C1	C2	H2	109.3°	109.5°
C2	C3	C4	110.6°	109.5°
C3	C2	H1	109.3°	109.5°
C3	C2	H2	109.4°	109.5°
C2	C3	H3	109.2°	109.5°
C2	C3	H4	109.2°	109.5°
C3	C4	N1	110.9°	109.5°
C4	C3	H3	109.2°	109.4°
C4	C3	H4	109.2°	109.5°
C3	C4	H5	109.1°	109.5°
C3	C4	H6	109.1°	109.5°
C4	N1	N2	116.8°	125.9°
C4	N1	C6	132.0°	125.9°
N1	C4	H5	109.1°	109.4°
N1	C4	H6	109.1°	109.5°
N2	N1	C6	111.1°	108.2°
N1	N2	N3	105.9°	110.2°
N1	C6	C5	105.3°	106.2°
N1	C6	H7	127.3°	126.9°
N2	N3	C5	105.6°	108.8°
N3	C5	C6	112.1°	106.5°
N3	C5	C7	134.5°	126.7°
C6	C5	C7	113.4°	126.8°
C5	C6	H7	127.4°	126.9°
C5	C7	C8	106.5°	109.9°
C5	C7	O5	112.2°	109.9°
C5	C7	H8	110.5°	109.8°
C8	C7	O5	106.3°	107.3°
C7	C8	O3	109.5°	110.5°
C7	C8	C9	104.8°	104.2°
C8	C7	H8	109.9°	109.9°
C7	C8	H9	109.2°	110.5°
C7	O5	C10	107.6°	107.0°
O5	C7	H8	111.1°	110.0°
O3	C8	C9	113.2°	110.5°
O3	C8	H9	110.6°	110.5°
C8	O3	H10	109.5°	114.0°
C8	C9	O4	112.5°	110.9°
C8	C9	C10	102.9°	102.1°
C9	C8	H9	109.3°	110.5°
C8	C9	H11	108.6°	111.0°
O4	C9	C10	114.3°	110.9°
O4	C9	H11	109.7°	110.8°
C9	O4	H12	109.5°	114.0°
C9	C10	O5	103.1°	103.5°
C9	C10	N4	112.5°	110.8°
C9	C10	H13	108.0°	110.6°
C10	C9	H11	108.5°	110.9°
O5	C10	N4	115.1°	110.7°
O5	C10	H13	109.3°	110.6°
C10	N4	C11	127.0°	126.2°
C10	N4	C13	125.3°	126.3°
N4	C10	H13	108.5°	110.6°
C11	N4	C13	107.7°	107.5°
N4	C11	N5	109.3°	109.9°
N4	C11	H14	125.3°	125.1°
N4	C13	C12	108.3°	106.0°
N4	C13	N6	132.9°	134.9°
C11	N5	C12	108.0°	109.4°
N5	C11	H14	125.4°	125.0°
N5	C12	C13	106.7°	107.2°
N5	C12	C15	133.3°	134.7°
C13	C12	C15	119.9°	118.2°
C12	C13	N6	118.8°	119.1°
C12	C15	N7	119.4°	118.4°
C12	C15	N8	120.3°	120.8°
C13	N6	C14	119.9°	120.6°
N6	C14	N7	122.9°	122.4°
N6	C14	H15	118.6°	118.8°
C14	N7	C15	119.1°	121.3°
N7	C14	H15	118.5°	118.8°
N7	C15	N8	120.3°	120.8°
C15	N8	H16	109.5°	119.9°
C15	N8	H17	109.5°	120.0°
H1	C2	H2	109.5°	109.4°
H3	C3	H4	109.5°	109.4°
H5	C4	H6	109.4°	109.4°
H16	N8	H17	109.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	179.4°	179.8°
O1	C1	C2	C3	141.5°	0.3°
O1	C1	C2	H1	21.4°	120.3°
O1	C1	C2	H2	98.4°	119.8°
O1	C1	O2	H18	0.0°	0.2°
O2	C1	C2	C3	39.0°	180.0°
O2	C1	C2	H1	159.1°	60.0°
O2	C1	C2	H2	81.0°	60.0°
C1	C2	C3	H1	120.1°	120.0°
C1	C2	C3	H2	120.1°	120.0°
C1	C2	C3	C4	55.9°	180.0°
C1	C2	H1	H2	119.8°	120.0°
C1	C2	C3	H3	176.1°	60.0°
C1	C2	C3	H4	64.2°	60.0°
C2	C1	O2	H18	179.4°	180.0°
C2	C3	C4	H3	120.1°	120.0°
C2	C3	C4	H4	120.2°	120.0°
C2	C3	C4	N1	167.4°	180.0°
C3	C2	H1	H2	119.8°	120.0°
C2	C3	H3	H4	119.5°	120.0°
C2	C3	C4	H5	47.2°	60.0°
C2	C3	C4	H6	72.3°	60.0°
C3	C4	N1	H5	120.2°	120.0°
C3	C4	N1	H6	120.2°	120.0°
C3	C4	N1	N2	75.0°	55.0°
C3	C4	N1	C6	105.2°	125.0°
C4	C3	C2	H1	64.2°	60.0°
C4	C3	C2	H2	176.0°	60.0°
C4	C3	H3	H4	119.5°	120.0°
C3	C4	H5	H6	119.3°	120.0°
C4	N1	N2	C6	179.9°	180.0°
C4	N1	N2	N3	179.9°	179.7°
C4	N1	C6	C5	179.9°	180.0°
N1	C4	C3	H3	72.4°	60.0°
N1	C4	C3	H4	47.2°	60.0°
N1	C4	H5	H6	119.4°	120.0°
C4	N1	C6	H7	0.1°	0.0°
N1	N2	N3	C5	0.3°	0.4°
N2	N1	C6	C5	0.0°	0.0°
N2	N1	C4	H5	45.3°	175.0°
N2	N1	C4	H6	164.8°	65.0°
N2	N1	C6	H7	180.0°	180.0°
C6	N1	N2	N3	0.2°	0.3°
N1	C6	C5	N3	0.2°	0.3°
N1	C6	C5	H7	180.0°	180.0°
N1	C6	C5	C7	179.4°	180.0°
C6	N1	C4	H5	134.6°	5.0°
C6	N1	C4	H6	15.1°	115.0°
N2	N3	C5	C6	0.3°	0.4°
N2	N3	C5	C7	179.3°	179.9°
N3	C5	C6	C7	179.3°	179.7°
N3	C5	C7	C8	142.5°	54.7°
N3	C5	C7	O5	101.5°	172.5°
N3	C5	C6	H7	179.8°	179.7°
N3	C5	C7	H8	23.2°	66.3°
C6	C5	C7	C8	36.5°	125.0°
C6	C5	C7	O5	79.5°	7.1°
C6	C5	C7	H8	155.9°	114.1°
C5	C7	C8	O5	119.9°	119.4°
C5	C7	C8	H8	119.8°	120.9°
C5	C7	O5	H8	124.3°	121.0°
C5	C7	C8	O3	117.3°	119.9°
C5	C7	C8	C9	120.9°	121.4°
C5	C7	O5	C10	141.2°	145.9°
C7	C5	C6	H7	0.6°	0.0°
C5	C7	C8	H9	3.9°	2.8°
C8	C7	O5	H8	119.6°	119.5°
C7	C8	O3	C9	116.6°	114.8°
C7	C8	O3	H9	120.4°	122.6°
C7	C8	C9	H9	116.9°	118.7°
C7	C8	C9	O4	144.8°	139.1°
C7	C8	C9	C10	21.3°	20.9°
C8	C7	O5	C10	25.1°	26.5°
C7	C8	C9	H11	93.6°	97.3°
C7	C8	O3	H10	180.0°	180.0°
O5	C7	C8	O3	122.8°	120.7°
O5	C7	C8	C9	1.0°	2.0°
C7	O5	C10	C9	38.8°	40.0°
C7	O5	C10	N4	161.7°	158.7°
C7	O5	C10	H13	76.0°	78.4°
O5	C7	C8	H9	115.9°	116.6°
O3	C8	C9	H9	123.7°	122.6°
O3	C8	C9	O4	25.4°	20.4°
O3	C8	C9	C10	98.0°	97.8°
O3	C8	C7	H8	2.5°	1.1°
O3	C8	C9	H11	147.1°	144.0°
C8	C9	O4	C10	116.9°	112.7°
C8	C9	O4	H11	121.0°	123.7°
C8	C9	C10	H11	114.9°	118.3°
C8	C9	C10	O5	36.5°	37.0°
C8	C9	C10	N4	161.1°	155.6°
C8	C9	C10	H13	79.1°	81.4°
C9	C8	C7	H8	119.3°	117.6°
C9	C8	O3	H10	63.4°	65.2°
C8	C9	O4	H12	180.0°	61.5°
O4	C9	C10	H11	122.8°	123.5°
O4	C9	C10	O5	158.7°	155.2°
O4	C9	C10	N4	76.6°	86.2°
O4	C9	C10	H13	43.1°	36.8°
O4	C9	C8	H9	98.3°	102.2°
C9	C10	O5	N4	122.9°	118.7°
C9	C10	O5	H13	114.7°	118.4°
C9	C10	N4	H13	119.5°	123.0°
C9	C10	N4	C11	70.6°	90.6°
C9	C10	N4	C13	107.3°	89.4°
C10	C9	C8	H9	138.2°	139.6°
C10	C9	O4	H12	63.1°	174.2°
O5	C10	N4	H13	122.8°	122.8°
O5	C10	N4	C11	47.1°	23.6°
O5	C10	N4	C13	134.9°	156.4°
C10	O5	C7	H8	94.4°	93.1°
O5	C10	C9	H11	78.5°	81.3°
C10	N4	C11	C13	178.2°	180.0°
C10	N4	C11	N5	179.0°	180.0°
C10	N4	C13	C12	179.1°	179.7°
C10	N4	C13	N6	1.9°	0.3°
C10	N4	C11	H14	1.1°	0.3°
N4	C10	C9	H11	46.2°	37.4°
N4	C11	N5	H14	180.0°	179.8°
N4	C11	N5	C12	0.3°	0.3°
C11	N4	C13	C12	0.9°	0.3°
C11	N4	C13	N6	179.8°	179.7°
C11	N4	C10	H13	169.9°	146.5°
C13	N4	C11	N5	0.7°	0.0°
N4	C13	C12	N5	0.7°	0.4°
N4	C13	C12	N6	179.1°	180.0°
N4	C13	C12	C15	179.7°	180.0°
N4	C13	N6	C14	179.5°	180.0°
C13	N4	C10	H13	12.1°	33.6°
C13	N4	C11	H14	179.3°	179.8°
C11	N5	C12	C13	0.2°	0.4°
C11	N5	C12	C15	179.7°	179.9°
N5	C12	C13	C15	179.6°	179.5°
N5	C12	C13	N6	179.8°	179.5°
N5	C12	C15	N7	179.8°	179.4°
N5	C12	C15	N8	0.3°	0.6°
C12	N5	C11	H14	179.7°	180.0°
C12	C13	N6	C14	0.7°	0.0°
C13	C12	C15	N7	0.4°	0.0°
C13	C12	C15	N8	179.7°	180.0°
C15	C12	C13	N6	0.7°	0.0°
C12	C15	N7	C14	0.1°	0.1°
C12	C15	N7	N8	179.9°	180.0°
C12	C15	N8	H16	179.9°	0.1°
C12	C15	N8	H17	59.9°	180.0°
C13	N6	C14	N7	0.4°	0.0°
C13	N6	C14	H15	179.6°	180.0°
N6	C14	N7	H15	180.0°	180.0°
N6	C14	N7	C15	0.1°	0.1°
C14	N7	C15	N8	180.0°	179.9°
C15	N7	C14	H15	179.9°	179.9°
N7	C15	N8	H16	0.0°	179.9°
N7	C15	N8	H17	120.0°	0.0°
C15	N8	H16	H17	120.0°	179.9°
H13	C10	C9	H11	165.9°	160.3°
H1	C2	C3	H3	56.0°	180.0°
H1	C2	C3	H4	175.7°	60.0°
H2	C2	C3	H3	63.9°	60.0°
H2	C2	C3	H4	55.8°	180.0°
H3	C3	C4	H5	167.4°	180.0°
H3	C3	C4	H6	47.8°	60.1°
H4	C3	C4	H5	73.0°	60.0°
H4	C3	C4	H6	167.5°	180.0°
H8	C7	C8	H9	123.7°	123.7°
H9	C8	C9	H11	23.4°	21.3°
H9	C8	O3	H10	59.6°	57.4°
H11	C9	O4	H12	59.1°	62.2°

Release date:	2026-09-09
Definition date:	2025-09-16
Last modified:	2026-09-04
Release status:	REL
Processing site:	PDBE
Derived from:	9SP3