A1JPC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	1.48Å
C1	C2	sing	1.51Å	1.52Å
C2	C3	doub	1.35Å	1.39Å	Aromatic
C2	N4	sing	1.34Å	1.37Å	Aromatic
C3	N2	sing	1.35Å	1.34Å	Aromatic
N3	N2	sing	1.29Å	1.40Å	Aromatic
N2	C4	sing	1.46Å	1.47Å
N4	N3	doub	1.29Å	1.42Å	Aromatic
C4	C5	sing	1.53Å	1.53Å
C5	C6	sing	1.54Å	1.53Å
C5	O3	sing	1.44Å	1.44Å
O1	C6	sing	1.43Å	1.43Å
C6	C7	sing	1.55Å	1.52Å
C7	O2	sing	1.43Å	1.44Å
C8	C7	sing	1.54Å	1.52Å
O3	C8	sing	1.44Å	1.43Å
N5	C8	sing	1.47Å	1.49Å
N5	C9	sing	1.36Å	1.34Å	Aromatic
C10	N5	sing	1.37Å	1.35Å	Aromatic
C9	N6	doub	1.30Å	1.36Å	Aromatic
N6	C11	sing	1.35Å	1.35Å	Aromatic
C10	C11	doub	1.41Å	1.39Å	Aromatic
N7	C10	sing	1.33Å	1.36Å	Aromatic
C11	C13	sing	1.41Å	1.41Å	Aromatic
C12	N7	doub	1.32Å	1.36Å	Aromatic
N8	C12	sing	1.32Å	1.35Å	Aromatic
C13	N8	doub	1.33Å	1.36Å	Aromatic
N9	C13	sing	1.38Å	1.36Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C12	H15	sing	1.08Å	1.08Å
C3	H20	sing	1.08Å	1.08Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.08Å	1.08Å
N1	H1	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
N9	H16	sing	0.97Å	1.00Å
N9	H17	sing	0.97Å	1.00Å
O1	H10	sing	0.97Å	0.95Å
O2	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	113.0°	109.5°
N1	C1	H3	108.6°	109.5°
N1	C1	H4	108.6°	109.5°
C1	N1	H1	109.5°	111.0°
C1	N1	H2	109.5°	111.0°
C1	C2	C3	125.8°	126.8°
C1	C2	N4	126.4°	126.7°
C2	C1	H3	108.6°	109.5°
C2	C1	H4	108.6°	109.4°
C3	C2	N4	107.8°	106.5°
C2	C3	N2	108.1°	106.2°
C2	C3	H20	125.9°	126.9°
C2	N4	N3	108.9°	108.9°
C3	N2	N3	110.5°	108.2°
C3	N2	C4	131.6°	125.9°
N2	C3	H20	125.9°	126.9°
N3	N2	C4	117.9°	125.9°
N2	N3	N4	104.6°	110.2°
N2	C4	C5	106.3°	109.5°
N2	C4	H6	110.2°	109.5°
N2	C4	H7	110.3°	109.5°
C4	C5	C6	110.7°	110.4°
C4	C5	O3	113.2°	110.3°
C5	C4	H6	110.3°	109.4°
C5	C4	H7	110.3°	109.4°
C4	C5	H8	108.5°	110.3°
C6	C5	O3	106.2°	104.9°
C5	C6	O1	109.8°	110.5°
C5	C6	C7	104.1°	104.1°
C6	C5	H8	108.5°	110.4°
C5	C6	H9	109.6°	110.5°
C5	O3	C8	105.9°	105.2°
O3	C5	H8	109.7°	110.5°
O1	C6	C7	112.4°	110.5°
O1	C6	H9	111.0°	110.6°
C6	O1	H10	109.5°	114.0°
C6	C7	O2	113.0°	110.5°
C6	C7	C8	103.8°	104.1°
C7	C6	H9	109.7°	110.5°
C6	C7	H11	108.3°	110.5°
O2	C7	C8	113.6°	110.5°
O2	C7	H11	109.5°	110.4°
C7	O2	H12	109.5°	114.0°
C7	C8	O3	103.0°	104.8°
C7	C8	N5	111.6°	110.4°
C8	C7	H11	108.3°	110.6°
C7	C8	H13	109.1°	110.4°
O3	C8	N5	112.9°	110.4°
O3	C8	H13	110.4°	110.4°
C8	N5	C9	127.0°	126.3°
C8	N5	C10	125.0°	126.3°
N5	C8	H13	109.6°	110.3°
C9	N5	C10	107.9°	107.4°
N5	C9	N6	109.0°	110.0°
N5	C9	H14	125.5°	125.0°
N5	C10	C11	108.3°	106.0°
N5	C10	N7	132.5°	135.0°
C9	N6	C11	108.2°	109.4°
N6	C9	H14	125.5°	125.0°
N6	C11	C10	106.6°	107.1°
N6	C11	C13	133.7°	134.7°
C11	C10	N7	119.2°	119.0°
C10	C11	C13	119.8°	118.2°
C10	N7	C12	119.7°	120.7°
C11	C13	N8	118.9°	118.4°
C11	C13	N9	120.7°	120.8°
N7	C12	N8	122.7°	122.5°
N7	C12	H15	118.7°	118.8°
C12	N8	C13	119.7°	121.2°
N8	C12	H15	118.6°	118.8°
N8	C13	N9	120.4°	120.8°
C13	N9	H16	109.5°	120.0°
C13	N9	H17	109.4°	120.0°
H3	C1	H4	109.5°	109.4°
H6	C4	H7	109.5°	109.5°
H1	N1	H2	109.5°	110.9°
H16	N9	H17	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	H3	120.5°	120.1°
N1	C1	C2	H4	120.5°	120.0°
N1	C1	C2	C3	30.4°	95.0°
N1	C1	C2	N4	151.1°	85.3°
N1	C1	H3	H4	118.4°	120.0°
C1	N1	H1	H2	120.0°	123.9°
C1	C2	C3	N4	178.8°	179.8°
C1	C2	C3	N2	179.7°	180.0°
C1	C2	N4	N3	179.4°	179.8°
C2	C1	H3	H4	118.4°	119.9°
C1	C2	C3	H20	0.3°	0.0°
C2	C1	N1	H1	180.0°	180.0°
C2	C1	N1	H2	60.0°	56.1°
C2	C3	N2	H20	180.0°	180.0°
C2	C3	N2	N3	0.8°	0.0°
C2	C3	N2	C4	179.7°	180.0°
C3	C2	N4	N3	0.7°	0.4°
C3	C2	C1	H3	150.9°	144.9°
C3	C2	C1	H4	90.2°	25.0°
N4	C2	C3	N2	0.9°	0.2°
C2	N4	N3	N2	0.2°	0.4°
N4	C2	C1	H3	30.5°	34.8°
N4	C2	C1	H4	88.4°	154.7°
N4	C2	C3	H20	179.1°	179.8°
C3	N2	N3	C4	179.6°	180.0°
C3	N2	N3	N4	0.4°	0.3°
C3	N2	C4	C5	49.6°	125.0°
C3	N2	C4	H6	69.9°	5.0°
C3	N2	C4	H7	169.1°	115.0°
N3	N2	C4	C5	129.9°	55.0°
N3	N2	C3	H20	179.2°	180.0°
N3	N2	C4	H6	110.6°	175.0°
N3	N2	C4	H7	10.4°	65.0°
C4	N2	N3	N4	179.9°	179.7°
N2	C4	C5	H6	119.5°	120.0°
N2	C4	C5	H7	119.5°	120.0°
N2	C4	C5	C6	90.3°	175.0°
N2	C4	C5	O3	150.6°	69.5°
C4	N2	C3	H20	0.3°	0.0°
N2	C4	H6	H7	121.5°	120.1°
N2	C4	C5	H8	28.6°	52.8°
C4	C5	C6	O3	123.3°	118.8°
C4	C5	C6	H8	118.9°	122.2°
C4	C5	O3	H8	121.3°	122.2°
C4	C5	C6	O1	106.0°	98.5°
C4	C5	C6	C7	133.5°	142.8°
C4	C5	O3	C8	154.9°	159.4°
C5	C4	H6	H7	121.5°	119.9°
C4	C5	C6	H9	16.2°	24.2°
C6	C5	O3	H8	117.0°	118.9°
C5	C6	O1	C7	115.4°	114.7°
C5	C6	O1	H9	121.4°	122.7°
C5	C6	C7	H9	117.3°	118.6°
C5	C6	C7	O2	138.1°	118.7°
C5	C6	C7	C8	14.6°	0.0°
C6	C5	O3	C8	33.2°	40.5°
C6	C5	C4	H6	150.2°	55.0°
C6	C5	C4	H7	29.2°	65.0°
C5	C6	C7	H11	100.3°	118.8°
C5	C6	O1	H10	180.0°	180.0°
O3	C5	C6	O1	130.8°	142.6°
O3	C5	C6	C7	10.3°	24.0°
C5	O3	C8	C7	42.3°	40.5°
C5	O3	C8	N5	162.9°	159.4°
O3	C5	C4	H6	31.1°	170.4°
O3	C5	C4	H7	89.9°	50.5°
O3	C5	C6	H9	107.0°	94.6°
C5	O3	C8	H13	74.1°	78.4°
O1	C6	C7	H9	124.0°	122.7°
O1	C6	C7	O2	19.4°	0.0°
O1	C6	C7	C8	104.2°	118.7°
O1	C6	C5	H8	12.9°	23.7°
O1	C6	C7	H11	140.9°	122.6°
C6	C7	O2	C8	117.9°	114.6°
C6	C7	O2	H11	120.9°	122.6°
C6	C7	C8	H11	114.9°	118.7°
C6	C7	C8	O3	34.5°	24.0°
C6	C7	C8	N5	156.0°	142.9°
C7	C6	C5	H8	107.6°	95.0°
C6	C7	C8	H13	82.7°	94.9°
C7	C6	O1	H10	64.6°	65.3°
C6	C7	O2	H12	180.0°	61.4°
O2	C7	C8	H11	121.9°	122.6°
O2	C7	C8	O3	157.7°	142.7°
O2	C7	C8	N5	80.9°	98.4°
O2	C7	C6	H9	104.6°	122.7°
O2	C7	C8	H13	40.4°	23.8°
C7	C8	O3	N5	120.5°	118.9°
C7	C8	O3	H13	116.4°	118.9°
C7	C8	N5	H13	121.0°	122.3°
C7	C8	N5	C9	62.3°	94.9°
C7	C8	N5	C10	117.1°	85.0°
C8	C7	C6	H9	131.8°	118.6°
C8	C7	O2	H12	62.1°	176.1°
O3	C8	N5	H13	123.5°	122.3°
O3	C8	N5	C9	53.2°	20.5°
O3	C8	N5	C10	127.4°	159.6°
C8	O3	C5	H8	83.8°	78.4°
O3	C8	C7	H11	80.4°	94.7°
C8	N5	C9	C10	179.5°	179.9°
C8	N5	C9	N6	179.4°	180.0°
C8	N5	C10	C11	179.8°	180.0°
C8	N5	C10	N7	0.8°	0.4°
N5	C8	C7	H11	41.0°	24.2°
C8	N5	C9	H14	0.6°	0.1°
N5	C9	N6	H14	180.0°	179.9°
N5	C9	N6	C11	0.4°	0.0°
C9	N5	C10	C11	0.3°	0.1°
C9	N5	C10	N7	179.7°	179.7°
C9	N5	C8	H13	176.7°	142.8°
C10	N5	C9	N6	0.1°	0.1°
N5	C10	C11	N6	0.5°	0.1°
N5	C10	C11	N7	179.5°	179.7°
N5	C10	C11	C13	179.9°	180.0°
N5	C10	N7	C12	179.7°	180.0°
C10	N5	C8	H13	3.9°	37.3°
C10	N5	C9	H14	179.9°	180.0°
C9	N6	C11	C10	0.6°	0.1°
C9	N6	C11	C13	179.9°	179.9°
N6	C11	C10	C13	179.4°	179.9°
N6	C11	C10	N7	179.9°	179.8°
N6	C11	C13	N8	179.6°	179.9°
N6	C11	C13	N9	0.6°	0.1°
C11	N6	C9	H14	179.6°	179.9°
C11	C10	N7	C12	0.3°	0.4°
C10	C11	C13	N8	0.4°	0.1°
C10	C11	C13	N9	179.8°	180.0°
N7	C10	C11	C13	0.5°	0.3°
C10	N7	C12	N8	0.1°	0.2°
C10	N7	C12	H15	179.9°	180.0°
C11	C13	N8	C12	0.0°	0.1°
C11	C13	N8	N9	179.9°	179.9°
C11	C13	N9	H16	179.9°	0.0°
C11	C13	N9	H17	59.8°	180.0°
N7	C12	N8	H15	180.0°	179.8°
N7	C12	N8	C13	0.3°	0.0°
C12	N8	C13	N9	179.8°	179.8°
C13	N8	C12	H15	179.8°	179.7°
N8	C13	N9	H16	0.0°	179.9°
N8	C13	N9	H17	120.0°	0.0°
C13	N9	H16	H17	120.0°	179.9°
H3	C1	N1	H1	59.5°	60.0°
H3	C1	N1	H2	60.5°	176.2°
H4	C1	N1	H1	59.5°	60.0°
H4	C1	N1	H2	179.5°	63.9°
H6	C4	C5	H8	90.8°	67.3°
H7	C4	C5	H8	148.1°	172.8°
H8	C5	C6	H9	135.2°	146.4°
H9	C6	C7	H11	16.9°	0.1°
H9	C6	O1	H10	58.6°	57.3°
H11	C7	C8	H13	162.3°	146.4°
H11	C7	O2	H12	59.2°	61.2°

Release date:	2026-09-09
Definition date:	2025-09-16
Last modified:	2026-09-04
Release status:	REL
Processing site:	PDBE
Derived from:	9SP1