ISX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6A	C6A	sing	1.43Å	1.43Å
O6A	H6	sing	0.97Å	0.95Å
C5A	N5	sing	1.47Å	1.46Å
C5A	C4A	sing	1.53Å	1.53Å
C5A	H5C1	sing	1.09Å	1.12Å
C5A	H5C2	sing	1.09Å	1.11Å
N5	C1A	sing	1.47Å	1.46Å
N5	H5A	sing	1.01Å	1.02Å
C4A	O1	sing	1.43Å	1.44Å
C4A	C3A	sing	1.53Å	1.52Å
C4A	H4A	sing	1.09Å	1.11Å
O1	C1	sing	1.43Å	1.42Å
C3A	O3A	sing	1.43Å	1.44Å
C3A	C2A	sing	1.53Å	1.53Å
C3A	H3A	sing	1.09Å	1.11Å
O3A	HA	sing	0.97Å	0.95Å
C2A	C1A	sing	1.53Å	1.53Å
C2A	C6A	sing	1.53Å	1.53Å
C2A	H2A	sing	1.09Å	1.12Å
C1A	H1C1	sing	1.09Å	1.11Å
C1A	H1C2	sing	1.09Å	1.11Å
C1	C2	sing	1.53Å	1.53Å
C1	O5	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.11Å
C2	O2	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.09Å	1.12Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.43Å
C4	C5	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.11Å
O4	HO4	sing	0.97Å	0.95Å
C5	C6	sing	1.53Å	1.52Å
C5	O5	sing	1.43Å	1.42Å
C5	H5	sing	1.09Å	1.12Å
C6A	H6C1	sing	1.09Å	1.12Å
C6A	H6C2	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6A	O6A	H6	110.9°	106.9°
O6A	C6A	C2A	110.9°	109.5°
O6A	C6A	H6C1	111.7°	109.4°
O6A	C6A	H6C2	111.7°	109.5°
N5	C5A	C4A	112.8°	109.7°
N5	C5A	H5C1	111.0°	109.4°
N5	C5A	H5C2	111.0°	109.4°
C5A	N5	C1A	117.6°	107.3°
C5A	N5	H5A	109.3°	106.7°
C4A	C5A	H5C1	111.0°	109.5°
C4A	C5A	H5C2	111.0°	109.4°
C5A	C4A	O1	108.4°	109.4°
C5A	C4A	C3A	113.0°	109.2°
C5A	C4A	H4A	109.4°	109.5°
H5C1	C5A	H5C2	99.3°	109.4°
C1A	N5	H5A	109.2°	106.7°
N5	C1A	C2A	108.9°	109.8°
N5	C1A	H1C1	112.4°	109.4°
N5	C1A	H1C2	112.4°	109.4°
O1	C4A	C3A	107.0°	109.6°
O1	C4A	H4A	109.5°	109.5°
C4A	O1	C1	112.4°	106.8°
C3A	C4A	H4A	109.5°	109.5°
C4A	C3A	O3A	108.7°	109.6°
C4A	C3A	C2A	109.0°	109.0°
C4A	C3A	H3A	108.8°	109.6°
O1	C1	C2	107.6°	109.5°
O1	C1	O5	108.5°	109.5°
O1	C1	H1	110.5°	109.3°
O3A	C3A	C2A	112.6°	109.8°
O3A	C3A	H3A	108.8°	109.5°
C3A	O3A	HA	108.7°	106.8°
C2A	C3A	H3A	108.8°	109.4°
C3A	C2A	C1A	110.5°	109.3°
C3A	C2A	C6A	114.1°	109.6°
C3A	C2A	H2A	107.3°	109.4°
C1A	C2A	C6A	110.3°	109.6°
C1A	C2A	H2A	107.2°	109.5°
C2A	C1A	H1C1	112.4°	109.4°
C2A	C1A	H1C2	112.4°	109.4°
C6A	C2A	H2A	107.2°	109.5°
C2A	C6A	H6C1	111.7°	109.4°
C2A	C6A	H6C2	111.7°	109.5°
H1C1	C1A	H1C2	98.0°	109.3°
C2	C1	O5	109.1°	109.8°
C2	C1	H1	110.5°	109.4°
C1	C2	O2	111.0°	109.6°
C1	C2	C3	111.6°	109.0°
C1	C2	H2	107.7°	109.6°
O5	C1	H1	110.5°	109.4°
C1	O5	C5	114.5°	107.7°
O2	C2	C3	110.8°	109.6°
O2	C2	H2	107.7°	109.5°
C2	O2	HO2	111.0°	106.8°
C3	C2	H2	107.7°	109.5°
C2	C3	O3	108.9°	109.7°
C2	C3	C4	111.2°	108.7°
C2	C3	H3	108.7°	109.7°
O3	C3	C4	110.7°	109.6°
O3	C3	H3	108.6°	109.6°
C3	O3	HO3	108.9°	106.8°
C4	C3	H3	108.7°	109.6°
C3	C4	O4	110.5°	109.6°
C3	C4	C5	108.2°	109.0°
C3	C4	H4	109.0°	109.5°
O4	C4	C5	111.0°	109.6°
O4	C4	H4	109.0°	109.5°
C4	O4	HO4	110.5°	106.8°
C5	C4	H4	109.0°	109.5°
C4	C5	C6	112.9°	109.4°
C4	C5	O5	107.6°	109.8°
C4	C5	H5	109.5°	109.4°
C6	C5	O5	107.7°	109.5°
C6	C5	H5	109.6°	109.4°
C5	C6	O6	108.5°	109.5°
C5	C6	H61	112.5°	109.5°
C5	C6	H62	112.5°	109.5°
O5	C5	H5	109.5°	109.4°
H6C1	C6A	H6C2	98.7°	109.5°
O6	C6	H61	112.6°	109.5°
O6	C6	H62	112.6°	109.5°
C6	O6	HO6	108.5°	106.8°
H61	C6	H62	97.9°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6A	C6A	C2A	C3A	62.0°	179.9°
O6A	C6A	C2A	C1A	63.0°	60.0°
O6A	C6A	C2A	H6C1	125.3°	119.9°
O6A	C6A	C2A	H6C2	125.3°	120.0°
O6A	C6A	C2A	H2A	179.4°	60.1°
O6A	C6A	H6C1	H6C2	117.6°	120.0°
H6	O6A	C6A	C2A	180.0°	180.0°
H6	O6A	C6A	H6C1	54.8°	60.0°
H6	O6A	C6A	H6C2	54.7°	60.0°
N5	C5A	C4A	H5C1	125.3°	120.1°
N5	C5A	C4A	H5C2	125.3°	120.1°
N5	C5A	H5C1	H5C2	116.9°	119.8°
C5A	N5	C1A	H5A	125.3°	114.0°
N5	C5A	C4A	O1	163.7°	178.6°
N5	C5A	C4A	C3A	45.3°	61.4°
N5	C5A	C4A	H4A	77.0°	58.6°
C5A	N5	C1A	C2A	53.2°	65.6°
C5A	N5	C1A	H1C1	178.5°	174.2°
C5A	N5	C1A	H1C2	72.1°	54.5°
C4A	C5A	H5C1	H5C2	116.9°	119.9°
C4A	C5A	N5	C1A	46.6°	65.6°
C4A	C5A	N5	H5A	78.6°	179.7°
C5A	C4A	O1	C3A	122.2°	119.8°
C5A	C4A	O1	H4A	119.3°	120.0°
C5A	C4A	C3A	H4A	122.2°	119.9°
C5A	C4A	O1	C1	89.9°	90.1°
C5A	C4A	C3A	O3A	175.5°	175.6°
C5A	C4A	C3A	C2A	52.4°	55.5°
C5A	C4A	C3A	H3A	66.1°	64.3°
H5C1	C5A	N5	C1A	78.6°	174.3°
H5C1	C5A	N5	H5A	156.1°	60.2°
H5C1	C5A	C4A	O1	38.4°	58.5°
H5C1	C5A	C4A	C3A	80.0°	178.6°
H5C1	C5A	C4A	H4A	157.7°	61.5°
H5C2	C5A	N5	C1A	171.9°	54.4°
H5C2	C5A	N5	H5A	46.6°	59.6°
H5C2	C5A	C4A	O1	71.1°	61.3°
H5C2	C5A	C4A	C3A	170.5°	58.7°
H5C2	C5A	C4A	H4A	48.3°	178.6°
N5	C1A	C2A	C3A	58.8°	61.3°
N5	C1A	C2A	H1C1	125.3°	120.1°
N5	C1A	C2A	H1C2	125.3°	120.1°
N5	C1A	C2A	C6A	174.1°	178.7°
N5	C1A	C2A	H2A	57.7°	58.6°
N5	C1A	H1C1	H1C2	118.3°	119.8°
H5A	N5	C1A	C2A	72.1°	179.7°
H5A	N5	C1A	H1C1	53.2°	60.2°
H5A	N5	C1A	H1C2	162.6°	59.5°
O1	C4A	C3A	H4A	118.5°	120.2°
O1	C4A	C3A	O3A	65.3°	64.5°
O1	C4A	C3A	C2A	171.7°	175.4°
O1	C4A	C3A	H3A	53.1°	55.6°
C4A	O1	C1	C2	160.2°	179.9°
C4A	O1	C1	O5	81.8°	59.7°
C4A	O1	C1	H1	39.5°	60.1°
C3A	C4A	O1	C1	147.9°	150.2°
C4A	C3A	O3A	C2A	120.9°	119.6°
C4A	C3A	O3A	H3A	118.4°	120.2°
C4A	C3A	C2A	H3A	118.6°	119.9°
C4A	C3A	O3A	HA	180.0°	59.9°
C4A	C3A	C2A	C1A	59.8°	55.5°
C4A	C3A	C2A	C6A	175.3°	175.5°
C4A	C3A	C2A	H2A	56.8°	64.4°
H4A	C4A	O1	C1	29.4°	30.0°
H4A	C4A	C3A	O3A	53.2°	55.7°
H4A	C4A	C3A	C2A	69.8°	64.4°
H4A	C4A	C3A	H3A	171.7°	175.8°
O1	C1	C2	O5	117.6°	120.2°
O1	C1	C2	H1	120.8°	119.8°
O1	C1	O5	H1	121.3°	119.8°
O1	C1	C2	O2	67.1°	58.6°
O1	C1	C2	C3	168.7°	178.5°
O1	C1	C2	H2	50.6°	61.6°
O1	C1	O5	C5	178.3°	172.3°
O3A	C3A	C2A	H3A	120.7°	120.2°
O3A	C3A	C2A	C1A	179.5°	175.5°
O3A	C3A	C2A	C6A	54.6°	64.5°
O3A	C3A	C2A	H2A	63.9°	55.6°
C2A	C3A	O3A	HA	59.1°	179.5°
C3A	C2A	C1A	C6A	127.0°	120.0°
C3A	C2A	C1A	H2A	116.6°	119.9°
C3A	C2A	C6A	H2A	118.6°	120.0°
C3A	C2A	C1A	H1C1	175.9°	178.6°
C3A	C2A	C1A	H1C2	66.5°	58.8°
C3A	C2A	C6A	H6C1	172.7°	60.0°
C3A	C2A	C6A	H6C2	63.2°	60.1°
H3A	C3A	O3A	HA	61.6°	60.3°
H3A	C3A	C2A	C1A	58.8°	64.4°
H3A	C3A	C2A	C6A	66.1°	55.7°
H3A	C3A	C2A	H2A	175.3°	175.7°
C1A	C2A	C6A	H2A	116.4°	120.1°
C2A	C1A	H1C1	H1C2	118.3°	119.8°
C1A	C2A	C6A	H6C1	62.3°	59.9°
C1A	C2A	C6A	H6C2	171.8°	179.9°
C6A	C2A	C1A	H1C1	48.9°	58.5°
C6A	C2A	C1A	H1C2	60.6°	61.2°
C2A	C6A	H6C1	H6C2	117.6°	120.0°
H2A	C2A	C1A	H1C1	67.5°	61.6°
H2A	C2A	C1A	H1C2	177.0°	178.7°
H2A	C2A	C6A	H6C1	54.1°	180.0°
H2A	C2A	C6A	H6C2	55.3°	60.0°
C2	C1	O5	H1	121.7°	120.0°
C1	C2	O2	C3	124.7°	119.6°
C1	C2	O2	H2	117.7°	120.2°
C1	C2	C3	H2	118.1°	119.9°
C1	C2	O2	HO2	180.0°	60.4°
C1	C2	C3	O3	172.9°	173.6°
C1	C2	C3	C4	50.6°	53.8°
C1	C2	C3	H3	68.9°	66.0°
C2	C1	O5	C5	61.3°	67.5°
O5	C1	C2	O2	175.3°	178.8°
O5	C1	C2	C3	51.1°	61.2°
O5	C1	C2	H2	67.0°	58.6°
C1	O5	C5	C4	66.6°	67.5°
C1	O5	C5	C6	171.4°	172.4°
C1	O5	C5	H5	52.4°	52.5°
H1	C1	C2	O2	53.7°	61.2°
H1	C1	C2	C3	70.5°	58.8°
H1	C1	C2	H2	171.4°	178.6°
H1	C1	O5	C5	60.3°	52.5°
O2	C2	C3	H2	117.6°	120.2°
O2	C2	C3	O3	62.8°	66.5°
O2	C2	C3	C4	174.9°	173.7°
O2	C2	C3	H3	55.4°	53.9°
C3	C2	O2	HO2	55.4°	180.0°
C2	C3	O3	C4	122.5°	119.3°
C2	C3	O3	H3	118.2°	120.4°
C2	C3	C4	H3	119.5°	119.8°
C2	C3	O3	HO3	180.0°	60.8°
C2	C3	C4	O4	176.3°	173.7°
C2	C3	C4	C5	54.5°	53.7°
C2	C3	C4	H4	63.9°	66.1°
H2	C2	O2	HO2	62.2°	59.9°
H2	C2	C3	O3	54.8°	53.7°
H2	C2	C3	C4	67.5°	66.2°
H2	C2	C3	H3	173.0°	174.1°
O3	C3	C4	H3	119.2°	120.3°
O3	C3	C4	O4	62.5°	66.4°
O3	C3	C4	C5	175.8°	173.6°
O3	C3	C4	H4	57.3°	53.8°
C4	C3	O3	HO3	57.5°	180.0°
C3	C4	O4	C5	120.0°	119.6°
C3	C4	O4	H4	119.8°	120.2°
C3	C4	C5	H4	118.4°	119.8°
C3	C4	O4	HO4	180.0°	60.4°
C3	C4	C5	C6	179.1°	178.7°
C3	C4	C5	O5	60.4°	61.2°
C3	C4	C5	H5	58.5°	58.9°
H3	C3	O3	HO3	61.8°	59.7°
H3	C3	C4	O4	56.8°	53.9°
H3	C3	C4	C5	65.0°	66.1°
H3	C3	C4	H4	176.6°	174.1°
O4	C4	C5	H4	120.1°	120.2°
O4	C4	C5	C6	59.5°	58.7°
O4	C4	C5	O5	178.1°	178.8°
O4	C4	C5	H5	62.9°	61.2°
C5	C4	O4	HO4	60.0°	180.0°
C4	C5	C6	O5	118.6°	120.4°
C4	C5	C6	H5	122.4°	119.8°
C4	C5	O5	H5	119.0°	120.0°
C4	C5	C6	O6	67.9°	179.7°
C4	C5	C6	H61	57.3°	59.6°
C4	C5	C6	H62	166.8°	60.3°
H4	C4	O4	HO4	60.1°	59.8°
H4	C4	C5	C6	60.6°	61.5°
H4	C4	C5	O5	58.0°	58.6°
H4	C4	C5	H5	177.0°	178.7°
C6	C5	O5	H5	119.1°	119.8°
C5	C6	O6	H61	125.2°	120.1°
C5	C6	O6	H62	125.3°	120.0°
C5	C6	H61	H62	118.5°	119.9°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	50.7°	59.9°
O5	C5	C6	H61	176.0°	179.9°
O5	C5	C6	H62	74.6°	60.1°
H5	C5	C6	O6	169.7°	59.9°
H5	C5	C6	H61	65.0°	60.2°
H5	C5	C6	H62	44.4°	179.9°
O6	C6	H61	H62	118.5°	120.0°
H61	C6	O6	HO6	54.8°	60.0°
H62	C6	O6	HO6	54.7°	60.0°

Definition date:	2005-06-27
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	2BVD