A1IPA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	sing	1.43Å	1.43Å
C1	C2	sing	1.53Å	1.53Å
C1	N5	sing	1.47Å	1.48Å
C2	C3	sing	1.53Å	1.52Å
N5	C5	sing	1.47Å	1.47Å
O14	C8	sing	1.43Å	1.44Å
O6	C6	sing	1.43Å	1.43Å
C3	O3	sing	1.43Å	1.46Å
C3	C4	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.54Å
C5	C4	sing	1.53Å	1.52Å
C5	C7	sing	1.53Å	1.54Å
C8	C7	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.43Å
C2	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
O14	H10	sing	0.97Å	0.95Å
O6	H11	sing	0.97Å	0.95Å
N5	H12	sing	1.01Å	1.00Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
O2	H16	sing	0.97Å	0.95Å
O3	H17	sing	0.97Å	0.95Å
O4	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C2	C1	110.6°	109.5°
O2	C2	C3	113.0°	109.5°
O2	C2	H1	107.7°	109.5°
C2	O2	H16	109.5°	114.0°
C2	C1	N5	111.3°	109.6°
C1	C2	C3	112.1°	109.3°
C1	C2	H1	106.5°	109.5°
C2	C1	H14	109.0°	109.5°
C2	C1	H15	109.0°	109.5°
C1	N5	C5	116.2°	111.2°
C1	N5	H12	107.7°	110.9°
N5	C1	H14	109.0°	109.5°
N5	C1	H15	109.0°	109.4°
C2	C3	O3	112.7°	109.5°
C2	C3	C4	109.7°	109.1°
C3	C2	H1	106.6°	109.5°
C2	C3	H3	107.8°	109.6°
N5	C5	C6	107.6°	109.5°
N5	C5	C4	107.6°	109.5°
N5	C5	C7	110.6°	109.4°
C5	N5	H12	107.8°	111.0°
O14	C8	C7	111.6°	109.4°
O14	C8	H4	108.9°	109.5°
O14	C8	H5	108.9°	109.4°
C8	O14	H10	109.5°	114.0°
O6	C6	C5	111.4°	109.5°
O6	C6	H8	109.0°	109.5°
O6	C6	H9	109.0°	109.5°
C6	O6	H11	109.5°	114.0°
O3	C3	C4	110.3°	109.5°
O3	C3	H3	108.4°	109.5°
C3	O3	H17	109.5°	114.0°
C3	C4	C5	115.3°	109.3°
C3	C4	O4	108.7°	109.5°
C3	C4	H2	106.8°	109.5°
C4	C3	H3	107.7°	109.6°
C6	C5	C4	112.1°	109.5°
C6	C5	C7	109.9°	109.5°
C5	C6	H8	109.0°	109.5°
C5	C6	H9	109.0°	109.5°
C4	C5	C7	109.0°	109.4°
C5	C4	O4	110.9°	109.5°
C5	C4	H2	106.8°	109.5°
C5	C7	C8	116.3°	109.4°
C5	C7	H6	107.7°	109.4°
C5	C7	H7	107.7°	109.5°
C7	C8	H4	108.9°	109.5°
C7	C8	H5	108.9°	109.4°
C8	C7	H6	107.7°	109.5°
C8	C7	H7	107.7°	109.5°
O4	C4	H2	108.0°	109.5°
C4	O4	H18	109.5°	114.0°
H4	C8	H5	109.5°	109.5°
H6	C7	H7	109.5°	109.5°
H8	C6	H9	109.5°	109.5°
H14	C1	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	C1	C3	127.1°	119.9°
O2	C2	C1	H1	116.7°	120.1°
O2	C2	C1	N5	178.5°	179.1°
O2	C2	C3	H1	118.1°	120.1°
O2	C2	C3	O3	59.8°	62.5°
O2	C2	C3	C4	176.8°	177.6°
O2	C2	C3	H3	59.8°	57.7°
O2	C2	C1	H14	61.2°	60.8°
O2	C2	C1	H15	58.3°	59.1°
C2	C1	N5	H14	120.2°	120.1°
C2	C1	N5	H15	120.3°	120.1°
C1	C2	C3	H1	116.2°	119.9°
C2	C1	N5	C5	54.7°	61.7°
C1	C2	C3	O3	174.4°	177.5°
C1	C2	C3	C4	51.0°	57.7°
C1	C2	C3	H3	66.0°	62.3°
C2	C1	N5	H12	66.3°	62.4°
C2	C1	H14	H15	119.2°	120.0°
C1	C2	O2	H16	180.0°	60.2°
N5	C1	C2	C3	51.5°	59.2°
C1	N5	C5	H12	121.0°	124.0°
C1	N5	C5	C6	175.1°	178.3°
C1	N5	C5	C4	54.1°	61.7°
C1	N5	C5	C7	64.9°	58.3°
N5	C1	C2	H1	64.8°	60.8°
N5	C1	H14	H15	119.2°	119.9°
C2	C3	O3	C4	123.0°	119.6°
C2	C3	O3	H3	119.3°	120.2°
C2	C3	C4	H3	117.0°	120.0°
C2	C3	C4	C5	54.1°	57.7°
C2	C3	C4	O4	179.3°	177.6°
C2	C3	C4	H2	64.4°	62.3°
C3	C2	C1	H14	171.7°	179.3°
C3	C2	C1	H15	68.8°	60.8°
C3	C2	O2	H16	53.5°	180.0°
C2	C3	O3	H17	180.0°	60.0°
N5	C5	C6	O6	62.5°	53.1°
N5	C5	C4	C3	53.9°	59.2°
N5	C5	C6	C4	118.1°	120.1°
N5	C5	C6	C7	120.5°	120.0°
N5	C5	C4	C7	119.9°	120.0°
N5	C5	C7	C8	56.3°	55.9°
N5	C5	C4	O4	178.0°	179.1°
N5	C5	C4	H2	64.6°	60.8°
N5	C5	C7	H6	64.7°	175.9°
N5	C5	C7	H7	177.3°	64.2°
N5	C5	C6	H8	177.2°	173.1°
N5	C5	C6	H9	57.8°	66.9°
C5	N5	C1	H14	175.0°	178.2°
C5	N5	C1	H15	65.5°	58.3°
O14	C8	C7	C5	57.5°	174.3°
O14	C8	C7	H4	120.3°	120.0°
O14	C8	C7	H5	120.3°	119.9°
O14	C8	H4	H5	119.0°	120.0°
O14	C8	C7	H6	63.5°	65.8°
O14	C8	C7	H7	178.5°	54.2°
O6	C6	C5	H8	120.3°	120.0°
O6	C6	C5	H9	120.3°	120.0°
O6	C6	C5	C4	55.6°	173.2°
O6	C6	C5	C7	177.0°	66.8°
O6	C6	H8	H9	119.1°	120.0°
O3	C3	C4	H3	118.2°	120.2°
O3	C3	C4	C5	178.9°	177.5°
O3	C3	C4	O4	55.9°	62.5°
O3	C3	C2	H1	58.2°	57.6°
O3	C3	C4	H2	60.4°	57.6°
C3	C4	C5	C6	172.1°	179.2°
C3	C4	C5	O4	124.1°	119.9°
C3	C4	C5	H2	118.5°	120.0°
C3	C4	C5	C7	66.0°	60.8°
C3	C4	O4	H2	115.5°	120.1°
C4	C3	C2	H1	65.1°	62.2°
C4	C3	O3	H17	57.0°	179.7°
C3	C4	O4	H18	180.0°	60.1°
C6	C5	C4	C7	121.9°	120.0°
C6	C5	C7	C8	62.4°	64.1°
C6	C5	C4	O4	63.9°	60.9°
C6	C5	C4	H2	53.6°	59.2°
C6	C5	C7	H6	176.6°	55.9°
C6	C5	C7	H7	58.5°	175.9°
C5	C6	H8	H9	119.1°	120.0°
C5	C6	O6	H11	180.0°	180.0°
C6	C5	N5	H12	54.1°	57.7°
C4	C5	C7	C8	174.3°	175.9°
C5	C4	O4	H2	116.7°	120.1°
C5	C4	C3	H3	62.9°	62.3°
C4	C5	C7	H6	53.3°	64.1°
C4	C5	C7	H7	64.7°	55.9°
C4	C5	C6	H8	64.7°	66.8°
C4	C5	C6	H9	175.9°	53.2°
C4	C5	N5	H12	66.9°	62.4°
C5	C4	O4	H18	52.3°	179.9°
C5	C7	C8	H6	121.0°	119.9°
C5	C7	C8	H7	121.0°	120.0°
C7	C5	C4	O4	58.0°	59.1°
C7	C5	C4	H2	175.5°	179.2°
C5	C7	C8	H4	62.8°	65.7°
C5	C7	C8	H5	177.8°	54.3°
C5	C7	H6	H7	116.9°	120.0°
C7	C5	C6	H8	56.7°	53.1°
C7	C5	C6	H9	62.7°	173.1°
C7	C5	N5	H12	174.2°	177.7°
C7	C8	H4	H5	119.0°	120.0°
C8	C7	H6	H7	116.9°	120.1°
C7	C8	O14	H10	180.0°	180.0°
O4	C4	C3	H3	62.3°	57.6°
H1	C2	C3	H3	177.9°	177.8°
H1	C2	C1	H14	55.5°	59.3°
H1	C2	C1	H15	175.0°	179.2°
H1	C2	O2	H16	64.0°	59.9°
H2	C4	C3	H3	178.6°	177.7°
H2	C4	O4	H18	64.5°	60.0°
H3	C3	O3	H17	60.7°	60.2°
H4	C8	C7	H6	176.2°	54.2°
H4	C8	C7	H7	58.2°	174.3°
H4	C8	O14	H10	59.7°	60.0°
H5	C8	C7	H6	56.8°	174.3°
H5	C8	C7	H7	61.2°	65.7°
H5	C8	O14	H10	59.7°	60.0°
H8	C6	O6	H11	59.7°	60.1°
H9	C6	O6	H11	59.7°	60.0°
H12	N5	C1	H14	54.0°	57.7°
H12	N5	C1	H15	173.5°	177.6°

Release date:	2025-10-01
Definition date:	2024-09-20
Last modified:	2025-09-26
Release status:	REL
Processing site:	PDBE
Derived from:	9GTN