LET

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	C8	doub	1.23Å	1.23Å
O4	C11	sing	1.36Å	1.25Å
O4	H4	sing	0.98Å	0.95Å
C11	O3	doub	1.22Å	1.25Å
C11	C10	sing	1.51Å	1.51Å
C10	C9	sing	1.53Å	1.53Å
C10	H101	sing	1.10Å	1.10Å
C10	H102	sing	1.10Å	1.10Å
C9	C8	sing	1.52Å	1.52Å
C9	H9C1	sing	1.10Å	1.10Å
C9	H9C2	sing	1.09Å	1.10Å
C8	C7	sing	1.52Å	1.53Å
C7	O6	sing	1.42Å	1.43Å
C7	H7C1	sing	1.09Å	1.10Å
C7	H7C2	sing	1.09Å	1.10Å
O6	C5	sing	1.41Å	1.45Å
C5	C4	sing	1.51Å	1.52Å
C5	H5C1	sing	1.09Å	1.10Å
C5	H5C2	sing	1.09Å	1.10Å
C4	C3	sing	1.52Å	1.52Å
C4	NZ	doub	1.28Å	1.27Å
C3	C2	sing	1.52Å	1.53Å
C3	H3C1	sing	1.10Å	1.10Å
C3	H3C2	sing	1.10Å	1.10Å
C2	C1	sing	1.51Å	1.52Å
C2	H2C1	sing	1.10Å	1.10Å
C2	H2C2	sing	1.10Å	1.10Å
C1	O1	sing	1.36Å	1.25Å
C1	O2	doub	1.22Å	1.25Å
O1	H1	sing	0.98Å	0.95Å
NZ	CE	sing	1.46Å	1.46Å
CE	CD	sing	1.52Å	1.52Å
CE	HEC1	sing	1.09Å	1.10Å
CE	HEC2	sing	1.09Å	1.10Å
CD	CG	sing	1.53Å	1.52Å
CD	HDC1	sing	1.10Å	1.10Å
CD	HDC2	sing	1.10Å	1.10Å
CG	CB	sing	1.54Å	1.52Å
CG	HGC1	sing	1.10Å	1.10Å
CG	HGC2	sing	1.10Å	1.10Å
CB	CA	sing	1.54Å	1.52Å
CB	HBC1	sing	1.10Å	1.10Å
CB	HBC2	sing	1.10Å	1.10Å
CA	N	sing	1.46Å	1.45Å
CA	C	sing	1.52Å	1.50Å
CA	HA	sing	1.10Å	1.10Å
N	H	sing	1.00Å	1.00Å
N	H2	sing	1.00Å	1.00Å
C	O	doub	1.22Å	1.22Å
C	OXT	sing	1.36Å	127.92Å
OXT	HXT	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	C8	C9	119.2°	122.7°
O7	C8	C7	118.2°	121.7°
C11	O4	H4	109.5°	114.9°
O4	C11	O3	122.8°	123.1°
O4	C11	C10	119.7°	111.4°
O3	C11	C10	117.5°	125.5°
C11	C10	C9	110.4°	112.7°
C11	C10	H101	108.9°	108.8°
C11	C10	H102	109.2°	107.1°
C9	C10	H101	109.0°	111.0°
C9	C10	H102	109.1°	108.2°
C10	C9	C8	114.0°	113.4°
C10	C9	H9C1	107.0°	108.6°
C10	C9	H9C2	108.0°	111.2°
H101	C10	H102	110.2°	108.8°
C8	C9	H9C1	107.0°	106.7°
C8	C9	H9C2	108.0°	108.4°
C9	C8	C7	122.6°	115.6°
H9C1	C9	H9C2	113.1°	108.3°
C8	C7	O6	118.4°	110.8°
C8	C7	H7C1	104.5°	109.8°
C8	C7	H7C2	106.6°	109.0°
O6	C7	H7C1	104.5°	109.1°
O6	C7	H7C2	106.6°	108.4°
C7	O6	C5	108.8°	111.8°
H7C1	C7	H7C2	116.8°	109.8°
O6	C5	C4	116.0°	108.1°
O6	C5	H5C1	105.9°	108.4°
O6	C5	H5C2	107.4°	109.8°
C4	C5	H5C1	105.8°	109.6°
C4	C5	H5C2	107.4°	112.9°
C5	C4	C3	120.6°	117.2°
C5	C4	NZ	119.3°	125.9°
H5C1	C5	H5C2	114.7°	108.0°
C3	C4	NZ	120.1°	116.9°
C4	C3	C2	112.5°	110.8°
C4	C3	H3C1	107.8°	109.2°
C4	C3	H3C2	108.5°	107.7°
C4	NZ	CE	128.2°	118.9°
C2	C3	H3C1	107.8°	111.8°
C2	C3	H3C2	108.4°	109.6°
C3	C2	C1	112.7°	111.4°
C3	C2	H2C1	107.7°	110.6°
C3	C2	H2C2	108.4°	112.2°
H3C1	C3	H3C2	111.9°	107.5°
C1	C2	H2C1	107.7°	108.0°
C1	C2	H2C2	108.4°	108.2°
C2	C1	O1	121.2°	112.7°
C2	C1	O2	116.7°	123.9°
H2C1	C2	H2C2	112.0°	106.3°
O1	C1	O2	122.1°	123.4°
C1	O1	H1	109.5°	115.1°
NZ	CE	CD	105.8°	109.9°
NZ	CE	HEC1	111.5°	109.7°
NZ	CE	HEC2	110.7°	108.8°
CD	CE	HEC1	111.5°	110.9°
CD	CE	HEC2	110.7°	109.7°
CE	CD	CG	111.3°	112.5°
CE	CD	HDC1	108.5°	108.6°
CE	CD	HDC2	108.9°	109.8°
HEC1	CE	HEC2	106.7°	107.9°
CG	CD	HDC1	108.5°	109.1°
CG	CD	HDC2	108.9°	109.6°
CD	CG	CB	110.5°	111.1°
CD	CG	HGC1	108.9°	109.5°
CD	CG	HGC2	109.1°	109.2°
HDC1	CD	HDC2	110.9°	107.2°
CB	CG	HGC1	108.9°	109.9°
CB	CG	HGC2	109.1°	109.9°
CG	CB	CA	112.0°	114.5°
CG	CB	HBC1	108.1°	108.7°
CG	CB	HBC2	108.7°	108.9°
HGC1	CG	HGC2	110.3°	107.2°
CA	CB	HBC1	108.1°	109.2°
CA	CB	HBC2	108.7°	108.9°
CB	CA	N	109.2°	111.5°
CB	CA	C	111.4°	112.2°
CB	CA	HA	107.3°	109.3°
HBC1	CB	HBC2	111.4°	106.3°
N	CA	C	106.1°	108.3°
N	CA	HA	112.5°	107.8°
CA	N	H	109.4°	117.9°
CA	N	H2	109.5°	118.0°
C	CA	HA	110.4°	107.6°
CA	C	O	117.4°	126.3°
CA	C	OXT	57.2°	110.5°
H	N	H2	109.5°	122.6°
O	C	OXT	166.5°	123.2°
C	OXT	HXT	57.2°	111.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	C8	C9	C10	48.4°	0.9°
O7	C8	C9	C7	179.6°	179.6°
O7	C8	C9	H9C1	69.6°	120.4°
O7	C8	C9	H9C2	168.4°	123.1°
O7	C8	C7	O6	157.2°	0.2°
O7	C8	C7	H7C1	87.0°	120.4°
O7	C8	C7	H7C2	37.2°	119.4°
O4	C11	O3	C10	179.7°	179.6°
O4	C11	C10	C9	45.8°	176.7°
O4	C11	C10	H101	73.8°	59.7°
O4	C11	C10	H102	165.8°	57.8°
H4	O4	C11	O3	0.0°	0.1°
H4	O4	C11	C10	179.7°	179.7°
O3	C11	C10	C9	133.9°	3.6°
O3	C11	C10	H101	106.5°	120.0°
O3	C11	C10	H102	13.9°	122.5°
C11	C10	C9	H101	119.6°	122.4°
C11	C10	C9	H102	120.0°	118.3°
C11	C10	H101	H102	119.8°	116.4°
C11	C10	C9	C8	86.5°	177.6°
C11	C10	C9	H9C1	31.5°	59.2°
C11	C10	C9	H9C2	153.6°	59.9°
C9	C10	H101	H102	119.7°	119.0°
C10	C9	C8	H9C1	118.0°	119.5°
C10	C9	C8	H9C2	120.0°	124.0°
C10	C9	H9C1	H9C2	118.8°	120.9°
C10	C9	C8	C7	131.2°	179.5°
H101	C10	C9	C8	154.0°	60.0°
H101	C10	C9	H9C1	88.0°	178.4°
H101	C10	C9	H9C2	34.0°	62.5°
H102	C10	C9	C8	33.5°	59.3°
H102	C10	C9	H9C1	151.5°	59.1°
H102	C10	C9	H9C2	86.4°	178.2°
C8	C9	H9C1	H9C2	118.7°	116.5°
C9	C8	C7	O6	23.1°	179.4°
C9	C8	C7	H7C1	92.6°	60.0°
C9	C8	C7	H7C2	143.1°	60.2°
H9C1	C9	C8	C7	110.8°	60.0°
H9C2	C9	C8	C7	11.2°	56.5°
C8	C7	O6	H7C1	115.8°	121.0°
C8	C7	O6	H7C2	120.0°	119.5°
C8	C7	H7C1	H7C2	117.5°	119.8°
C8	C7	O6	C5	103.0°	180.0°
O6	C7	H7C1	H7C2	117.5°	118.7°
C7	O6	C5	C4	107.6°	180.0°
C7	O6	C5	H5C1	9.4°	61.3°
C7	O6	C5	H5C2	132.4°	56.5°
H7C1	C7	O6	C5	12.7°	59.0°
H7C2	C7	O6	C5	137.0°	60.5°
O6	C5	C4	H5C1	117.0°	118.0°
O6	C5	C4	H5C2	120.0°	121.6°
O6	C5	H5C1	H5C2	118.2°	118.9°
O6	C5	C4	C3	149.7°	92.0°
O6	C5	C4	NZ	31.6°	88.6°
C4	C5	H5C1	H5C2	118.2°	123.3°
C5	C4	C3	NZ	178.7°	179.4°
C5	C4	C3	C2	103.5°	86.4°
C5	C4	C3	H3C1	15.2°	150.0°
C5	C4	C3	H3C2	136.5°	33.5°
C5	C4	NZ	CE	179.2°	179.4°
H5C1	C5	C4	C3	32.7°	150.0°
H5C1	C5	C4	NZ	148.6°	29.4°
H5C2	C5	C4	C3	90.3°	29.6°
H5C2	C5	C4	NZ	88.4°	149.8°
C4	C3	C2	H3C1	118.7°	122.1°
C4	C3	C2	H3C2	120.0°	118.7°
C4	C3	H3C1	H3C2	119.2°	116.6°
C4	C3	C2	C1	167.8°	179.9°
C4	C3	C2	H2C1	49.2°	60.0°
C4	C3	C2	H2C2	72.2°	58.5°
C3	C4	NZ	CE	0.5°	0.0°
NZ	C4	C3	C2	77.8°	94.2°
NZ	C4	C3	H3C1	163.5°	29.5°
NZ	C4	C3	H3C2	42.2°	146.0°
C4	NZ	CE	CD	120.2°	177.8°
C4	NZ	CE	HEC1	118.4°	60.0°
C4	NZ	CE	HEC2	0.2°	57.7°
C2	C3	H3C1	H3C2	119.1°	120.4°
C3	C2	C1	H2C1	118.6°	121.6°
C3	C2	C1	H2C2	120.0°	123.8°
C3	C2	H2C1	H2C2	119.1°	122.0°
C3	C2	C1	O1	25.4°	179.2°
C3	C2	C1	O2	155.2°	1.6°
H3C1	C3	C2	C1	73.5°	57.8°
H3C1	C3	C2	H2C1	167.9°	177.9°
H3C1	C3	C2	H2C2	46.5°	63.6°
H3C2	C3	C2	C1	47.8°	61.3°
H3C2	C3	C2	H2C1	70.8°	58.8°
H3C2	C3	C2	H2C2	167.8°	177.2°
C1	C2	H2C1	H2C2	119.1°	115.9°
C2	C1	O1	O2	179.4°	179.3°
C2	C1	O1	H1	179.4°	179.2°
H2C1	C2	C1	O1	143.9°	59.2°
H2C1	C2	C1	O2	36.6°	120.0°
H2C2	C2	C1	O1	94.6°	55.4°
H2C2	C2	C1	O2	84.8°	125.3°
O2	C1	O1	H1	0.0°	0.0°
NZ	CE	CD	HEC1	121.4°	121.4°
NZ	CE	CD	HEC2	120.0°	119.5°
NZ	CE	HEC1	HEC2	121.0°	118.3°
NZ	CE	CD	CG	178.0°	61.4°
NZ	CE	CD	HDC1	62.8°	177.8°
NZ	CE	CD	HDC2	58.0°	60.9°
CD	CE	HEC1	HEC2	121.0°	120.2°
CE	CD	CG	HDC1	119.2°	120.5°
CE	CD	CG	HDC2	120.0°	122.5°
CE	CD	HDC1	HDC2	119.5°	118.5°
CE	CD	CG	CB	151.3°	179.4°
CE	CD	CG	HGC1	31.8°	57.9°
CE	CD	CG	HGC2	88.7°	59.2°
HEC1	CE	CD	CG	56.5°	60.0°
HEC1	CE	CD	HDC1	175.7°	60.8°
HEC1	CE	CD	HDC2	63.5°	177.7°
HEC2	CE	CD	CG	62.1°	179.1°
HEC2	CE	CD	HDC1	57.1°	58.3°
HEC2	CE	CD	HDC2	177.9°	58.6°
CG	CD	HDC1	HDC2	119.5°	118.5°
CD	CG	CB	HGC1	119.6°	121.3°
CD	CG	CB	HGC2	120.0°	120.9°
CD	CG	HGC1	HGC2	119.7°	118.3°
CD	CG	CB	CA	165.9°	177.6°
CD	CG	CB	HBC1	47.0°	60.0°
CD	CG	CB	HBC2	74.1°	55.4°
HDC1	CD	CG	CB	89.5°	60.0°
HDC1	CD	CG	HGC1	151.0°	178.4°
HDC1	CD	CG	HGC2	30.6°	61.3°
HDC2	CD	CG	CB	31.3°	57.0°
HDC2	CD	CG	HGC1	88.2°	64.5°
HDC2	CD	CG	HGC2	151.3°	178.3°
CB	CG	HGC1	HGC2	119.7°	119.4°
CG	CB	CA	HBC1	118.9°	122.2°
CG	CB	CA	HBC2	120.0°	122.2°
CG	CB	HBC1	HBC2	119.3°	117.1°
CG	CB	CA	N	178.2°	59.4°
CG	CB	CA	C	64.9°	62.2°
CG	CB	CA	HA	56.0°	178.6°
HGC1	CG	CB	CA	74.5°	56.3°
HGC1	CG	CB	HBC1	166.6°	178.7°
HGC1	CG	CB	HBC2	45.5°	65.9°
HGC2	CG	CB	CA	45.9°	61.5°
HGC2	CG	CB	HBC1	73.0°	60.9°
HGC2	CG	CB	HBC2	165.9°	176.3°
CA	CB	HBC1	HBC2	119.3°	117.3°
CB	CA	N	C	120.2°	123.9°
CB	CA	N	HA	119.0°	120.0°
CB	CA	C	HA	119.1°	120.3°
CB	CA	N	H	74.7°	178.1°
CB	CA	N	H2	165.3°	11.5°
CB	CA	C	O	79.5°	119.7°
CB	CA	C	OXT	86.2°	61.1°
HBC1	CB	CA	N	59.3°	178.4°
HBC1	CB	CA	C	176.2°	60.0°
HBC1	CB	CA	HA	62.9°	59.3°
HBC2	CB	CA	N	61.8°	62.7°
HBC2	CB	CA	C	55.1°	175.6°
HBC2	CB	CA	HA	176.0°	56.4°
N	CA	C	HA	122.2°	116.3°
CA	N	H	H2	120.0°	165.9°
N	CA	C	O	39.2°	3.7°
N	CA	C	OXT	155.1°	175.5°
C	CA	N	H	45.5°	58.0°
C	CA	N	H2	74.5°	135.4°
CA	C	O	OXT	62.8°	179.1°
CA	C	OXT	HXT	180.0°	179.3°
HA	CA	N	H	166.3°	58.1°
HA	CA	N	H2	46.2°	108.5°
HA	CA	C	O	161.3°	120.0°
HA	CA	C	OXT	32.9°	59.2°
O	C	OXT	HXT	110.0°	0.0°

Definition date:	2005-09-11
Last modified:	2024-09-27
Release status:	REL
Processing site:	EBI
Derived from:	2C15