A1IXI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P1	O2	sing	1.61Å	1.66Å
P1	O3	doub	1.48Å	1.51Å
P1	O4	sing	1.61Å	1.52Å
P1	O5	sing	1.61Å	1.50Å
C1	N1	sing	1.36Å	1.32Å	Aromatic
C1	C4	doub	1.35Å	1.37Å	Aromatic
N1	C2	sing	1.38Å	1.33Å	Aromatic
O1	C5	sing	1.44Å	1.53Å
O1	C8	sing	1.44Å	1.31Å
C2	C3	doub	1.41Å	1.40Å	Aromatic
C2	C11	sing	1.40Å	1.41Å	Aromatic
N2	C3	sing	1.34Å	1.35Å	Aromatic
N2	C10	doub	1.32Å	1.34Å	Aromatic
O2	C9	sing	1.43Å	1.42Å
C3	C4	sing	1.46Å	1.43Å	Aromatic
N3	C10	sing	1.33Å	1.33Å	Aromatic
N3	C11	doub	1.33Å	1.34Å	Aromatic
C4	C5	sing	1.51Å	1.39Å
N4	C10	sing	1.39Å	1.45Å
C5	C6	sing	1.56Å	1.57Å
C6	C7	sing	1.55Å	1.25Å
C6	O7	sing	1.43Å	1.53Å
O6	C7	sing	1.43Å	1.50Å
C7	C8	sing	1.54Å	1.72Å
C8	C9	sing	1.53Å	1.50Å
O8	C11	sing	1.36Å	1.41Å
C9	H92	sing	1.09Å	1.10Å
C9	H91	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
C5	H51	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
O6	H62	sing	0.97Å	0.95Å
N1	H1	sing	0.97Å	1.00Å
C1	H11	sing	1.08Å	1.08Å
C7	H71	sing	1.09Å	1.10Å
N4	H41	sing	0.97Å	1.00Å
N4	H42	sing	0.97Å	1.00Å
O4	H2	sing	0.97Å	0.95Å
O5	H3	sing	0.97Å	0.95Å
O7	H72	sing	0.97Å	0.95Å
O8	H82	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	P1	O3	113.7°	109.4°
O2	P1	O4	110.8°	109.5°
O2	P1	O5	105.1°	109.5°
P1	O2	C9	112.3°	123.0°
O3	P1	O4	112.6°	109.5°
O3	P1	O5	104.7°	109.5°
O4	P1	O5	109.5°	109.5°
P1	O4	H2	109.5°	113.9°
P1	O5	H3	109.5°	114.0°
N1	C1	C4	110.4°	109.9°
C1	N1	C2	109.7°	109.8°
C1	N1	H1	125.2°	125.1°
N1	C1	H11	124.8°	125.0°
C1	C4	C3	105.7°	107.1°
C1	C4	C5	117.6°	126.5°
C4	C1	H11	124.8°	125.1°
N1	C2	C3	108.8°	107.3°
N1	C2	C11	132.8°	134.5°
C2	N1	H1	125.1°	125.2°
C5	O1	C8	93.3°	106.9°
O1	C5	C4	109.5°	110.8°
O1	C5	C6	104.8°	103.4°
O1	C5	H51	106.2°	110.6°
O1	C8	C7	110.2°	107.4°
O1	C8	C9	104.5°	109.9°
O1	C8	H81	112.7°	109.9°
C3	C2	C11	118.4°	118.2°
C2	C3	N2	119.3°	119.2°
C2	C3	C4	105.4°	106.0°
C2	C11	N3	118.4°	118.8°
C2	C11	O8	121.9°	120.6°
C3	N2	C10	120.8°	120.3°
N2	C3	C4	135.3°	134.8°
N2	C10	N3	120.9°	122.1°
N2	C10	N4	123.0°	118.9°
O2	C9	C8	105.7°	109.5°
O2	C9	H92	110.4°	109.5°
O2	C9	H91	110.4°	109.5°
C3	C4	C5	136.4°	126.5°
C10	N3	C11	122.3°	121.3°
N3	C10	N4	116.1°	118.9°
N3	C11	O8	119.8°	120.7°
C4	C5	C6	121.6°	110.6°
C4	C5	H51	107.9°	110.6°
C10	N4	H41	109.5°	120.0°
C10	N4	H42	109.5°	120.0°
C5	C6	C7	96.2°	102.0°
C5	C6	O7	115.2°	110.9°
C6	C5	H51	105.8°	110.6°
C5	C6	H61	107.9°	110.9°
C7	C6	O7	116.0°	111.0°
C6	C7	O6	118.9°	110.5°
C6	C7	C8	102.8°	104.2°
C7	C6	H61	112.6°	110.9°
C6	C7	H71	110.2°	110.5°
O7	C6	H61	108.4°	110.8°
C6	O7	H72	109.5°	114.0°
O6	C7	C8	112.6°	110.5°
C7	O6	H62	109.5°	114.0°
O6	C7	H71	106.8°	110.5°
C7	C8	C9	112.8°	109.9°
C7	C8	H81	107.1°	109.9°
C8	C7	H71	104.6°	110.5°
C8	C9	H92	110.4°	109.5°
C8	C9	H91	110.4°	109.5°
C9	C8	H81	109.7°	109.8°
C11	O8	H82	109.5°	114.0°
H92	C9	H91	109.5°	109.4°
H41	N4	H42	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	P1	O3	O4	127.1°	120.0°
O2	P1	O3	O5	114.1°	120.0°
O2	P1	O4	O5	115.4°	120.0°
P1	O2	C9	C8	105.0°	180.0°
P1	O2	C9	H92	135.6°	59.9°
P1	O2	C9	H91	14.4°	60.0°
O2	P1	O4	H2	128.6°	60.0°
O2	P1	O5	H3	120.0°	180.0°
O3	P1	O4	O5	116.0°	120.0°
O3	P1	O2	C9	112.9°	55.0°
O3	P1	O4	H2	0.0°	180.0°
O3	P1	O5	H3	0.0°	60.1°
O4	P1	O2	C9	119.1°	65.0°
O4	P1	O5	H3	121.0°	59.9°
O5	P1	O2	C9	0.9°	174.9°
O5	P1	O4	H2	116.0°	60.0°
N1	C1	C4	H11	180.0°	179.9°
C1	N1	C2	H1	180.0°	179.8°
C1	N1	C2	C3	0.6°	0.2°
C1	N1	C2	C11	180.0°	179.8°
N1	C1	C4	C3	1.0°	0.3°
N1	C1	C4	C5	175.4°	179.9°
C4	C1	N1	C2	0.2°	0.0°
C1	C4	C5	O1	85.1°	19.1°
C1	C4	C3	C2	1.3°	0.4°
C1	C4	C3	N2	179.8°	179.9°
C1	C4	C3	C5	172.9°	179.8°
C1	C4	C5	C6	152.5°	95.0°
C1	C4	C5	H51	30.2°	142.1°
C4	C1	N1	H1	179.7°	179.8°
N1	C2	C3	C11	179.5°	180.0°
N1	C2	C3	N2	180.0°	180.0°
N1	C2	C3	C4	1.2°	0.4°
N1	C2	C11	N3	179.5°	180.0°
N1	C2	C11	O8	0.2°	0.0°
C2	N1	C1	H11	179.7°	179.9°
O1	C5	C4	C3	87.2°	161.1°
O1	C5	C4	C6	122.4°	114.1°
O1	C5	C4	H51	115.2°	123.0°
O1	C5	C6	H51	112.0°	118.5°
O1	C5	C6	C7	58.8°	37.0°
O1	C5	C6	O7	63.7°	81.3°
C5	O1	C8	C7	26.0°	26.6°
C5	O1	C8	C9	95.5°	92.9°
C5	O1	C8	H81	145.5°	146.2°
O1	C5	C6	H61	175.0°	155.2°
O1	C8	C9	O2	121.5°	66.7°
C8	O1	C5	C4	177.9°	158.6°
C8	O1	C5	C6	50.1°	40.0°
O1	C8	C7	C6	8.4°	2.1°
O1	C8	C7	O6	137.6°	116.6°
O1	C8	C7	C9	116.3°	119.5°
O1	C8	C7	H81	122.9°	119.5°
O1	C8	C9	H81	121.0°	121.0°
O1	C8	C9	H92	2.1°	173.3°
O1	C8	C9	H91	119.1°	53.3°
C8	O1	C5	H51	61.6°	78.4°
O1	C8	C7	H71	106.8°	120.8°
C2	C3	N2	C4	178.4°	179.5°
C2	C3	N2	C10	0.5°	0.1°
C3	C2	C11	N3	0.2°	0.1°
C2	C3	C4	C5	174.1°	179.8°
C3	C2	C11	O8	179.5°	180.0°
C3	C2	N1	H1	179.4°	180.0°
C11	C2	C3	N2	0.5°	0.1°
C11	C2	C3	C4	179.4°	179.7°
C2	C11	N3	C10	0.1°	0.1°
C2	C11	N3	O8	179.7°	179.9°
C11	C2	N1	H1	0.0°	0.0°
C2	C11	O8	H82	179.7°	90.0°
C3	N2	C10	N3	0.2°	0.1°
N2	C3	C4	C5	7.3°	0.3°
C3	N2	C10	N4	180.0°	180.0°
C10	N2	C3	C4	178.9°	179.5°
N2	C10	N3	N4	179.8°	179.9°
N2	C10	N3	C11	0.2°	0.1°
N2	C10	N4	H41	0.0°	0.1°
N2	C10	N4	H42	120.0°	180.0°
O2	C9	C8	C7	118.9°	175.4°
O2	C9	C8	H92	119.4°	120.1°
O2	C9	C8	H91	119.4°	120.0°
O2	C9	H92	H91	121.7°	120.0°
O2	C9	C8	H81	0.4°	54.3°
C3	C4	C5	C6	35.3°	84.8°
C3	C4	C5	H51	157.6°	38.1°
C3	C4	C1	H11	179.0°	179.8°
C10	N3	C11	O8	179.9°	180.0°
N3	C10	N4	H41	179.8°	180.0°
N3	C10	N4	H42	60.2°	0.1°
C11	N3	C10	N4	179.6°	180.0°
N3	C11	O8	H82	0.0°	89.9°
C4	C5	C6	H51	123.3°	122.8°
C4	C5	C6	C7	176.5°	155.7°
C4	C5	C6	O7	61.0°	37.5°
C4	C5	C6	H61	60.3°	86.1°
C5	C4	C1	H11	4.5°	0.0°
C10	N4	H41	H42	120.0°	179.9°
C5	C6	C7	O7	121.9°	118.2°
C5	C6	C7	H61	112.4°	118.2°
C5	C6	O7	H61	121.0°	123.6°
C5	C6	C7	O6	161.4°	139.5°
C5	C6	C7	C8	36.3°	20.8°
C5	C6	C7	H71	74.8°	97.9°
C5	C6	O7	H72	180.0°	180.0°
C7	C6	O7	H61	127.8°	123.7°
C6	C7	O6	C8	120.3°	114.8°
C6	C7	O6	H71	125.4°	122.6°
C6	C7	C8	H71	115.2°	118.7°
C6	C7	C8	C9	124.8°	117.4°
C6	C7	C8	H81	114.4°	121.6°
C7	C6	C5	H51	53.2°	81.5°
C6	C7	O6	H62	180.0°	61.4°
C7	C6	O7	H72	68.8°	67.3°
O7	C6	C7	O6	39.4°	21.3°
O7	C6	C7	C8	85.7°	97.4°
O7	C6	C5	H51	175.7°	160.3°
O7	C6	C7	H71	163.2°	143.9°
O6	C7	C8	H71	115.6°	122.6°
O6	C7	C8	C9	106.0°	123.9°
O6	C7	C8	H81	14.7°	2.9°
O6	C7	C6	H61	86.2°	102.4°
C7	C8	C9	H81	119.3°	121.0°
C7	C8	C9	H92	121.7°	55.3°
C7	C8	C9	H91	0.5°	64.7°
C8	C7	C6	H61	148.6°	139.0°
C8	C7	O6	H62	59.8°	176.2°
C8	C9	H92	H91	121.7°	120.0°
C9	C8	C7	H71	9.6°	1.3°
H92	C9	C8	H81	119.0°	65.8°
H91	C9	C8	H81	119.8°	174.3°
H81	C8	C7	H71	130.4°	119.7°
H51	C5	C6	H61	63.0°	36.7°
H61	C6	C7	H71	37.5°	20.3°
H61	C6	O7	H72	59.0°	56.4°
H62	O6	C7	H71	54.5°	61.2°
H1	N1	C1	H11	0.3°	0.1°

Release date:	2025-11-12
Definition date:	2024-12-19
Last modified:	2025-11-07
Release status:	REL
Processing site:	PDBE
Derived from:	9HS2