AHY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	sing	1.52Å	1.54Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.12Å
C10	H103	sing	1.09Å	1.11Å
C9	C8	sing	1.53Å	1.55Å
C9	H9C1	sing	1.10Å	1.12Å
C9	H9C2	sing	1.10Å	1.11Å
C8	C7	sing	1.53Å	1.55Å
C8	H8C1	sing	1.10Å	1.12Å
C8	H8C2	sing	1.10Å	1.12Å
C7	C6	sing	1.53Å	1.55Å
C7	H7C1	sing	1.10Å	1.12Å
C7	H7C2	sing	1.10Å	1.12Å
C6	C5	sing	1.53Å	1.54Å
C6	H6C1	sing	1.10Å	1.11Å
C6	H6C2	sing	1.10Å	1.11Å
C5	C4	sing	1.53Å	1.51Å
C5	H5C1	sing	1.10Å	1.12Å
C5	H5C2	sing	1.10Å	1.12Å
C4	C3	sing	1.54Å	1.55Å
C4	H4C1	sing	1.10Å	1.12Å
C4	H4C2	sing	1.10Å	1.11Å
C3	H3	sing	1.10Å	1.12Å
C3	N3	sing	1.47Å	1.51Å
C3	C2	sing	1.54Å	1.53Å
N3	H3N1	sing	0.99Å	1.02Å
N3	H3N2	sing	0.99Å	1.02Å
C2	H2	sing	1.10Å	1.10Å
C2	OH2	sing	1.42Å	1.41Å
C2	C1	sing	1.52Å	1.53Å
OH2	H2O	sing	0.97Å	0.95Å
C1	O	doub	1.22Å	1.22Å
C1	OXT	sing	1.36Å	1.31Å
OXT	HXT	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	H101	110.5°	111.0°
C9	C10	H102	110.4°	111.0°
C9	C10	H103	114.3°	110.3°
C10	C9	C8	114.3°	111.5°
C10	C9	H9C1	110.4°	109.2°
C10	C9	H9C2	110.5°	109.1°
H101	C10	H102	99.8°	108.3°
H101	C10	H103	110.5°	108.0°
H102	C10	H103	110.5°	108.1°
C8	C9	H9C1	110.5°	109.8°
C8	C9	H9C2	110.5°	109.9°
C9	C8	C7	112.3°	111.3°
C9	C8	H8C1	111.2°	109.6°
C9	C8	H8C2	111.2°	109.5°
H9C1	C9	H9C2	99.8°	107.3°
C7	C8	H8C1	111.2°	109.6°
C7	C8	H8C2	111.2°	109.6°
C8	C7	C6	110.2°	111.2°
C8	C7	H7C1	111.9°	108.9°
C8	C7	H7C2	112.0°	109.6°
H8C1	C8	H8C2	99.1°	107.2°
C6	C7	H7C1	111.9°	110.2°
C6	C7	H7C2	111.9°	109.6°
C7	C6	C5	110.0°	113.5°
C7	C6	H6C1	112.0°	108.8°
C7	C6	H6C2	112.0°	109.9°
H7C1	C7	H7C2	98.4°	107.3°
C5	C6	H6C1	112.0°	108.0°
C5	C6	H6C2	112.0°	109.7°
C6	C5	C4	111.4°	113.2°
C6	C5	H5C1	111.5°	109.3°
C6	C5	H5C2	111.5°	107.1°
H6C1	C6	H6C2	98.4°	106.7°
C4	C5	H5C1	111.5°	110.6°
C4	C5	H5C2	111.5°	109.3°
C5	C4	C3	111.9°	116.1°
C5	C4	H4C1	111.3°	109.4°
C5	C4	H4C2	111.3°	108.8°
H5C1	C5	H5C2	98.9°	107.1°
C3	C4	H4C1	111.3°	107.7°
C3	C4	H4C2	111.3°	108.5°
C4	C3	H3	108.5°	106.1°
C4	C3	N3	110.5°	110.3°
C4	C3	C2	108.5°	113.7°
H4C1	C4	H4C2	99.1°	105.9°
H3	C3	N3	110.5°	107.0°
H3	C3	C2	112.4°	108.5°
N3	C3	C2	106.4°	111.0°
C3	N3	H3N1	111.8°	117.8°
C3	N3	H3N2	110.5°	117.7°
C3	C2	H2	104.4°	110.6°
C3	C2	OH2	111.1°	110.8°
C3	C2	C1	112.4°	112.0°
H3N1	N3	H3N2	111.8°	123.0°
H2	C2	OH2	114.0°	107.3°
H2	C2	C1	112.8°	108.1°
OH2	C2	C1	102.4°	107.7°
C2	OH2	H2O	109.5°	106.8°
C2	C1	O	120.2°	124.7°
C2	C1	OXT	113.8°	112.3°
O	C1	OXT	126.0°	123.0°
C1	OXT	HXT	109.5°	115.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	H101	H102	116.3°	122.1°
C9	C10	H101	H103	127.4°	121.1°
C9	C10	H102	H103	127.4°	121.1°
C10	C9	C8	H9C1	125.3°	121.1°
C10	C9	C8	H9C2	125.3°	121.1°
C10	C9	H9C1	H9C2	116.3°	118.1°
C10	C9	C8	C7	67.9°	178.6°
C10	C9	C8	H8C1	57.4°	60.0°
C10	C9	C8	H8C2	166.9°	57.3°
H101	C10	H102	H103	116.3°	116.8°
H101	C10	C9	C8	54.7°	60.3°
H101	C10	C9	H9C1	70.5°	61.2°
H101	C10	C9	H9C2	180.0°	178.2°
H102	C10	C9	C8	54.7°	60.2°
H102	C10	C9	H9C1	180.0°	178.3°
H102	C10	C9	H9C2	70.5°	61.3°
H103	C10	C9	C8	180.0°	180.0°
H103	C10	C9	H9C1	54.8°	58.5°
H103	C10	C9	H9C2	54.7°	58.5°
C8	C9	H9C1	H9C2	116.3°	119.4°
C9	C8	C7	H8C1	125.3°	121.4°
C9	C8	C7	H8C2	125.3°	121.3°
C9	C8	H8C1	H8C2	117.0°	118.8°
C9	C8	C7	C6	156.5°	178.4°
C9	C8	C7	H7C1	31.3°	60.1°
C9	C8	C7	H7C2	78.2°	57.1°
H9C1	C9	C8	C7	166.9°	57.5°
H9C1	C9	C8	H8C1	67.8°	178.9°
H9C1	C9	C8	H8C2	41.6°	63.8°
H9C2	C9	C8	C7	57.4°	60.3°
H9C2	C9	C8	H8C1	177.3°	61.1°
H9C2	C9	C8	H8C2	67.9°	178.4°
C7	C8	H8C1	H8C2	117.0°	118.8°
C8	C7	C6	H7C1	125.3°	120.9°
C8	C7	C6	H7C2	125.3°	121.3°
C8	C7	H7C1	H7C2	117.9°	118.5°
C8	C7	C6	C5	179.5°	179.7°
C8	C7	C6	H6C1	55.3°	60.0°
C8	C7	C6	H6C2	54.2°	56.5°
H8C1	C8	C7	C6	78.2°	60.3°
H8C1	C8	C7	H7C1	156.5°	61.3°
H8C1	C8	C7	H7C2	47.1°	178.4°
H8C2	C8	C7	C6	31.3°	57.1°
H8C2	C8	C7	H7C1	94.0°	178.7°
H8C2	C8	C7	H7C2	156.5°	64.2°
C6	C7	H7C1	H7C2	117.9°	119.2°
C7	C6	C5	H6C1	125.2°	120.8°
C7	C6	C5	H6C2	125.3°	123.3°
C7	C6	H6C1	H6C2	117.9°	118.5°
C7	C6	C5	C4	172.7°	176.2°
C7	C6	C5	H5C1	47.4°	60.0°
C7	C6	C5	H5C2	62.1°	55.7°
H7C1	C7	C6	C5	54.2°	58.8°
H7C1	C7	C6	H6C1	179.5°	179.1°
H7C1	C7	C6	H6C2	71.0°	64.4°
H7C2	C7	C6	C5	55.2°	59.0°
H7C2	C7	C6	H6C1	70.0°	61.3°
H7C2	C7	C6	H6C2	179.5°	177.8°
C5	C6	H6C1	H6C2	117.9°	117.8°
C6	C5	C4	H5C1	125.3°	123.0°
C6	C5	C4	H5C2	125.3°	119.3°
C6	C5	H5C1	H5C2	117.4°	115.7°
C6	C5	C4	C3	167.7°	177.9°
C6	C5	C4	H4C1	42.4°	60.0°
C6	C5	C4	H4C2	67.1°	55.3°
H6C1	C6	C5	C4	62.1°	55.4°
H6C1	C6	C5	H5C1	172.7°	179.2°
H6C1	C6	C5	H5C2	63.2°	65.1°
H6C2	C6	C5	C4	47.4°	60.5°
H6C2	C6	C5	H5C1	77.8°	63.3°
H6C2	C6	C5	H5C2	172.7°	179.0°
C4	C5	H5C1	H5C2	117.4°	119.0°
C5	C4	C3	H4C1	125.3°	123.0°
C5	C4	C3	H4C2	125.2°	122.8°
C5	C4	H4C1	H4C2	117.2°	117.1°
C5	C4	C3	H3	55.2°	60.0°
C5	C4	C3	N3	66.1°	55.5°
C5	C4	C3	C2	177.6°	179.2°
H5C1	C5	C4	C3	67.0°	59.1°
H5C1	C5	C4	H4C1	167.7°	63.0°
H5C1	C5	C4	H4C2	58.2°	178.3°
H5C2	C5	C4	C3	42.4°	58.6°
H5C2	C5	C4	H4C1	82.8°	179.3°
H5C2	C5	C4	H4C2	167.7°	64.0°
C3	C4	H4C1	H4C2	117.2°	115.9°
C4	C3	H3	N3	121.3°	117.7°
C4	C3	H3	C2	120.0°	122.5°
C4	C3	N3	C2	117.6°	126.8°
C4	C3	N3	H3N1	54.8°	44.2°
C4	C3	N3	H3N2	180.0°	122.3°
C4	C3	C2	H2	49.7°	63.0°
C4	C3	C2	OH2	173.1°	178.1°
C4	C3	C2	C1	72.8°	57.8°
H4C1	C4	C3	H3	70.1°	177.0°
H4C1	C4	C3	N3	168.7°	67.5°
H4C1	C4	C3	C2	52.3°	57.8°
H4C2	C4	C3	H3	179.5°	62.8°
H4C2	C4	C3	N3	59.2°	178.3°
H4C2	C4	C3	C2	57.2°	56.4°
H3	C3	N3	C2	122.3°	118.2°
H3	C3	N3	H3N1	174.9°	159.1°
H3	C3	N3	H3N2	59.9°	7.4°
H3	C3	C2	H2	169.7°	179.3°
H3	C3	C2	OH2	67.0°	60.3°
H3	C3	C2	C1	47.2°	60.0°
C3	N3	H3N1	H3N2	124.5°	165.8°
N3	C3	C2	H2	69.2°	62.0°
N3	C3	C2	OH2	54.1°	57.0°
N3	C3	C2	C1	168.2°	177.3°
C2	C3	N3	H3N1	62.9°	82.6°
C2	C3	N3	H3N2	62.4°	110.8°
C3	C2	H2	OH2	121.4°	121.0°
C3	C2	H2	C1	122.3°	123.0°
C3	C2	OH2	C1	120.2°	122.9°
C3	C2	OH2	H2O	106.1°	35.9°
C3	C2	C1	O	43.1°	87.7°
C3	C2	C1	OXT	137.4°	91.2°
H2	C2	OH2	C1	122.2°	116.2°
H2	C2	OH2	H2O	11.6°	85.0°
H2	C2	C1	O	160.8°	150.1°
H2	C2	C1	OXT	19.7°	31.0°
OH2	C2	C1	O	76.2°	34.4°
OH2	C2	C1	OXT	103.3°	146.7°
C1	C2	OH2	H2O	133.7°	158.8°
C2	C1	O	OXT	179.4°	178.8°
C2	C1	OXT	HXT	179.5°	179.1°
O	C1	OXT	HXT	0.0°	0.1°

Definition date:	2006-11-06
Last modified:	2024-09-27
Release status:	REL
Processing site:	EBI
Derived from:	2J9A