C1X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C11	doub	1.23Å	1.26Å
C11	O3	sing	1.36Å	1.27Å
C11	C10	sing	1.51Å	1.52Å
O3	H3	sing	0.98Å	0.95Å
C10	C9	sing	1.52Å	1.54Å
C10	H101	sing	1.10Å	1.10Å
C10	H102	sing	1.10Å	1.10Å
C9	C8	sing	1.53Å	1.56Å
C9	H9C1	sing	1.09Å	1.10Å
C9	H9C2	sing	1.09Å	1.10Å
C8	C7	sing	1.54Å	1.56Å
C8	C3	sing	1.55Å	1.56Å
C8	H8	sing	1.10Å	1.10Å
C7	S6	sing	1.82Å	1.79Å
C7	H7C1	sing	1.09Å	1.10Å
C7	H7C2	sing	1.09Å	1.10Å
C5	C4	sing	1.51Å	1.53Å
C5	S6	sing	1.81Å	1.79Å
C5	H5C1	sing	1.09Å	1.10Å
C5	H5C2	sing	1.09Å	1.10Å
C3	C2	sing	1.53Å	1.54Å
C3	C4	sing	1.52Å	1.53Å
C3	HB	sing	1.10Å	1.10Å
C2	C1	sing	1.50Å	1.52Å
C2	H2C1	sing	1.09Å	1.10Å
C2	H2C2	sing	1.09Å	1.10Å
C1	O1	doub	1.22Å	1.25Å
C1	O2	sing	1.36Å	1.25Å
O2	H4	sing	0.98Å	0.95Å
C4	NZ	doub	1.29Å	1.29Å
NZ	CE	sing	1.46Å	1.46Å
CE	CD	sing	1.52Å	1.53Å
CE	HEC1	sing	1.10Å	1.10Å
CE	HEC2	sing	1.10Å	1.10Å
CD	CG	sing	1.53Å	1.54Å
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	1.53Å
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	1.52Å
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	123.48Å
OXT	HXT	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C11	O3	124.2°	123.3°
O4	C11	C10	117.0°	123.8°
O3	C11	C10	118.8°	112.9°
C11	O3	H3	109.5°	115.5°
C11	C10	C9	112.9°	112.0°
C11	C10	H101	107.6°	110.7°
C11	C10	H102	108.4°	106.8°
C9	C10	H101	107.6°	111.7°
C9	C10	H102	108.3°	109.5°
C10	C9	C8	111.3°	112.5°
C10	C9	H9C1	108.5°	109.2°
C10	C9	H9C2	108.8°	110.8°
H101	C10	H102	112.2°	105.8°
C8	C9	H9C1	108.4°	108.1°
C8	C9	H9C2	108.9°	108.6°
C9	C8	C7	109.7°	109.8°
C9	C8	C3	111.1°	111.8°
C9	C8	H8	111.6°	106.2°
H9C1	C9	H9C2	110.9°	107.5°
C7	C8	C3	117.7°	113.6°
C7	C8	H8	103.9°	107.6°
C8	C7	S6	114.8°	112.0°
C8	C7	H7C1	106.5°	111.1°
C8	C7	H7C2	107.7°	110.0°
C3	C8	H8	102.3°	107.5°
C8	C3	C2	107.4°	115.2°
C8	C3	C4	108.5°	109.5°
C8	C3	HB	113.4°	107.7°
S6	C7	H7C1	106.5°	108.8°
S6	C7	H7C2	107.7°	107.4°
C7	S6	C5	104.0°	99.0°
H7C1	C7	H7C2	113.7°	107.3°
C4	C5	S6	104.3°	108.9°
C4	C5	H5C1	112.4°	110.1°
C4	C5	H5C2	111.2°	109.9°
C5	C4	C3	117.1°	119.1°
C5	C4	NZ	118.7°	121.4°
S6	C5	H5C1	112.4°	109.3°
S6	C5	H5C2	111.3°	110.2°
H5C1	C5	H5C2	105.5°	108.5°
C2	C3	C4	114.8°	109.8°
C2	C3	HB	107.0°	106.7°
C3	C2	C1	115.7°	111.7°
C3	C2	H2C1	106.1°	108.9°
C3	C2	H2C2	107.5°	108.9°
C4	C3	HB	105.9°	107.6°
C3	C4	NZ	124.0°	119.5°
C1	C2	H2C1	106.0°	108.9°
C1	C2	H2C2	107.5°	108.9°
C2	C1	O1	116.4°	126.5°
C2	C1	O2	121.3°	109.7°
H2C1	C2	H2C2	114.5°	109.6°
O1	C1	O2	122.3°	123.8°
C1	O2	H4	109.5°	111.9°
C4	NZ	CE	128.7°	114.5°
NZ	CE	CD	110.2°	109.9°
NZ	CE	HEC1	109.1°	109.6°
NZ	CE	HEC2	109.2°	108.7°
CD	CE	HEC1	109.0°	111.0°
CD	CE	HEC2	109.2°	109.7°
CE	CD	CG	109.6°	112.5°
CE	CD	HDC1	109.4°	108.6°
CE	CD	HDC2	109.4°	109.7°
HEC1	CE	HEC2	110.1°	107.8°
CG	CD	HDC1	109.4°	109.1°
CG	CD	HDC2	109.4°	109.6°
CD	CG	CB	109.5°	111.0°
CD	CG	HGC1	109.5°	109.5°
CD	CG	HGC2	109.5°	109.1°
HDC1	CD	HDC2	109.6°	107.2°
CB	CG	HGC1	109.5°	109.9°
CB	CG	HGC2	109.5°	109.9°
CG	CB	CA	109.3°	114.5°
CG	CB	HBC1	109.6°	108.8°
CG	CB	HBC2	109.5°	108.9°
HGC1	CG	HGC2	109.5°	107.3°
CA	CB	HBC1	109.6°	109.1°
CA	CB	HBC2	109.5°	108.9°
CB	CA	N	109.4°	111.5°
CB	CA	C	112.1°	112.2°
CB	CA	HA	106.1°	109.4°
HBC1	CB	HBC2	109.4°	106.2°
N	CA	C	103.8°	108.2°
N	CA	HA	114.1°	107.8°
CA	N	H	109.4°	118.0°
CA	N	H2	109.5°	118.1°
C	CA	HA	111.5°	107.6°
CA	C	O	124.6°	126.4°
CA	C	OXT	156.8°	110.4°
H	N	H2	109.4°	122.5°
O	C	OXT	62.5°	123.2°
C	OXT	HXT	156.8°	111.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C11	O3	C10	179.0°	178.7°
O4	C11	O3	H3	0.0°	0.1°
O4	C11	C10	C9	156.8°	5.4°
O4	C11	C10	H101	84.7°	120.0°
O4	C11	C10	H102	36.8°	125.2°
O3	C11	C10	C9	24.2°	175.9°
O3	C11	C10	H101	94.4°	58.7°
O3	C11	C10	H102	144.2°	56.1°
C10	C11	O3	H3	179.0°	178.8°
C11	C10	C9	H101	118.5°	124.8°
C11	C10	C9	H102	120.0°	118.3°
C11	C10	H101	H102	119.1°	115.4°
C11	C10	C9	C8	174.4°	179.9°
C11	C10	C9	H9C1	66.4°	59.9°
C11	C10	C9	H9C2	54.4°	58.3°
C9	C10	H101	H102	119.0°	119.1°
C10	C9	C8	H9C1	119.2°	120.6°
C10	C9	C8	H9C2	120.0°	123.0°
C10	C9	H9C1	H9C2	119.5°	120.3°
C10	C9	C8	C7	66.1°	179.4°
C10	C9	C8	C3	162.0°	52.4°
C10	C9	C8	H8	48.5°	64.6°
H101	C10	C9	C8	55.9°	55.3°
H101	C10	C9	H9C1	175.1°	175.2°
H101	C10	C9	H9C2	64.1°	66.5°
H102	C10	C9	C8	65.6°	61.6°
H102	C10	C9	H9C1	53.6°	58.3°
H102	C10	C9	H9C2	174.4°	176.6°
C8	C9	H9C1	H9C2	119.5°	117.1°
C9	C8	C7	C3	128.3°	126.0°
C9	C8	C7	H8	119.5°	115.1°
C9	C8	C3	H8	119.2°	116.1°
C9	C8	C7	S6	171.0°	173.3°
C9	C8	C7	H7C1	71.4°	64.7°
C9	C8	C7	H7C2	51.0°	53.9°
C9	C8	C3	C2	50.0°	56.4°
C9	C8	C3	C4	174.5°	179.3°
C9	C8	C3	HB	68.1°	62.5°
H9C1	C9	C8	C7	53.1°	60.0°
H9C1	C9	C8	C3	78.7°	173.0°
H9C1	C9	C8	H8	167.7°	56.0°
H9C2	C9	C8	C7	173.9°	56.4°
H9C2	C9	C8	C3	42.1°	70.6°
H9C2	C9	C8	H8	71.5°	172.4°
C7	C8	C3	H8	113.1°	119.0°
C8	C7	S6	H7C1	117.6°	123.3°
C8	C7	S6	H7C2	120.0°	120.9°
C8	C7	H7C1	H7C2	118.5°	120.2°
C8	C7	S6	C5	44.7°	55.9°
C7	C8	C3	C2	77.7°	68.5°
C7	C8	C3	C4	46.9°	55.8°
C7	C8	C3	HB	164.3°	172.6°
C3	C8	C7	S6	42.7°	60.7°
C3	C8	C7	H7C1	160.3°	61.3°
C3	C8	C7	H7C2	77.3°	179.9°
C8	C3	C4	C5	65.9°	59.2°
C8	C3	C2	C4	120.7°	124.2°
C8	C3	C2	HB	122.1°	119.5°
C8	C3	C4	HB	122.1°	116.8°
C8	C3	C2	C1	170.0°	176.1°
C8	C3	C2	H2C1	72.8°	55.8°
C8	C3	C2	H2C2	50.0°	63.6°
C8	C3	C4	NZ	108.7°	121.2°
H8	C8	C7	S6	69.5°	58.2°
H8	C8	C7	H7C1	48.1°	179.8°
H8	C8	C7	H7C2	170.4°	61.2°
H8	C8	C3	C2	169.2°	172.5°
H8	C8	C3	C4	66.2°	63.2°
H8	C8	C3	HB	51.2°	53.6°
S6	C7	H7C1	H7C2	118.5°	115.9°
C7	S6	C5	C4	54.6°	53.7°
C7	S6	C5	H5C1	67.3°	173.9°
C7	S6	C5	H5C2	174.6°	67.0°
H7C1	C7	S6	C5	162.3°	67.4°
H7C2	C7	S6	C5	75.4°	176.8°
C4	C5	S6	H5C1	122.0°	120.3°
C4	C5	S6	H5C2	120.0°	120.6°
C4	C5	H5C1	H5C2	121.4°	120.3°
C5	C4	C3	C2	54.2°	68.3°
C5	C4	C3	NZ	174.6°	179.6°
C5	C4	C3	HB	172.0°	176.0°
C5	C4	NZ	CE	178.4°	180.0°
S6	C5	H5C1	H5C2	121.4°	120.1°
S6	C5	C4	C3	71.9°	62.2°
S6	C5	C4	NZ	103.0°	118.2°
H5C1	C5	C4	C3	50.0°	178.0°
H5C1	C5	C4	NZ	135.0°	1.5°
H5C2	C5	C4	C3	168.1°	58.6°
H5C2	C5	C4	NZ	17.0°	121.0°
C2	C3	C4	HB	117.8°	115.7°
C3	C2	C1	H2C1	117.2°	120.3°
C3	C2	C1	H2C2	120.0°	120.3°
C3	C2	H2C1	H2C2	118.3°	119.0°
C3	C2	C1	O1	169.1°	89.8°
C3	C2	C1	O2	9.0°	90.3°
C2	C3	C4	NZ	131.2°	111.3°
C4	C3	C2	C1	69.2°	59.7°
C4	C3	C2	H2C1	47.9°	180.0°
C4	C3	C2	H2C2	170.8°	60.6°
C3	C4	NZ	CE	3.8°	0.4°
HB	C3	C2	C1	47.9°	56.6°
HB	C3	C2	H2C1	165.1°	63.7°
HB	C3	C2	H2C2	72.1°	176.9°
HB	C3	C4	NZ	13.4°	4.4°
C1	C2	H2C1	H2C2	118.2°	119.0°
C2	C1	O1	O2	178.0°	180.0°
C2	C1	O2	H4	177.9°	180.0°
H2C1	C2	C1	O1	51.9°	149.9°
H2C1	C2	C1	O2	126.2°	30.0°
H2C2	C2	C1	O1	70.9°	30.5°
H2C2	C2	C1	O2	111.0°	149.5°
O1	C1	O2	H4	0.0°	0.0°
C4	NZ	CE	CD	158.5°	177.8°
C4	NZ	CE	HEC1	81.8°	59.9°
C4	NZ	CE	HEC2	38.5°	57.7°
NZ	CE	CD	HEC1	119.7°	121.4°
NZ	CE	CD	HEC2	120.0°	119.4°
NZ	CE	HEC1	HEC2	119.8°	118.1°
NZ	CE	CD	CG	174.2°	61.4°
NZ	CE	CD	HDC1	54.2°	177.7°
NZ	CE	CD	HDC2	65.8°	60.9°
CD	CE	HEC1	HEC2	119.8°	120.3°
CE	CD	CG	HDC1	120.0°	120.6°
CE	CD	CG	HDC2	120.0°	122.4°
CE	CD	HDC1	HDC2	119.9°	118.5°
CE	CD	CG	CB	177.3°	179.5°
CE	CD	CG	HGC1	57.3°	57.9°
CE	CD	CG	HGC2	62.7°	59.2°
HEC1	CE	CD	CG	66.1°	60.0°
HEC1	CE	CD	HDC1	173.9°	60.9°
HEC1	CE	CD	HDC2	53.9°	177.7°
HEC2	CE	CD	CG	54.2°	179.1°
HEC2	CE	CD	HDC1	65.8°	58.3°
HEC2	CE	CD	HDC2	174.2°	58.6°
CG	CD	HDC1	HDC2	120.0°	118.6°
CD	CG	CB	HGC1	120.0°	121.3°
CD	CG	CB	HGC2	120.0°	120.9°
CD	CG	HGC1	HGC2	120.0°	118.3°
CD	CG	CB	CA	175.8°	177.6°
CD	CG	CB	HBC1	55.7°	60.0°
CD	CG	CB	HBC2	64.2°	55.4°
HDC1	CD	CG	CB	62.8°	60.0°
HDC1	CD	CG	HGC1	177.2°	178.5°
HDC1	CD	CG	HGC2	57.2°	61.3°
HDC2	CD	CG	CB	57.3°	57.1°
HDC2	CD	CG	HGC1	62.7°	64.5°
HDC2	CD	CG	HGC2	177.3°	178.4°
CB	CG	HGC1	HGC2	120.0°	119.4°
CG	CB	CA	HBC1	120.1°	122.2°
CG	CB	CA	HBC2	120.0°	122.2°
CG	CB	HBC1	HBC2	120.0°	117.1°
CG	CB	CA	N	173.8°	59.4°
CG	CB	CA	C	59.2°	62.1°
CG	CB	CA	HA	62.7°	178.6°
HGC1	CG	CB	CA	64.2°	56.3°
HGC1	CG	CB	HBC1	175.7°	178.7°
HGC1	CG	CB	HBC2	55.8°	65.9°
HGC2	CG	CB	CA	55.8°	61.5°
HGC2	CG	CB	HBC1	64.3°	60.9°
HGC2	CG	CB	HBC2	175.8°	176.2°
CA	CB	HBC1	HBC2	120.0°	117.3°
CB	CA	N	C	119.8°	123.9°
CB	CA	N	HA	118.6°	120.1°
CB	CA	C	HA	118.8°	120.4°
CB	CA	N	H	99.9°	178.1°
CB	CA	N	H2	20.0°	11.6°
CB	CA	C	O	57.0°	119.7°
CB	CA	C	OXT	43.8°	61.1°
HBC1	CB	CA	N	66.2°	178.4°
HBC1	CB	CA	C	179.2°	60.0°
HBC1	CB	CA	HA	57.3°	59.3°
HBC2	CB	CA	N	53.8°	62.8°
HBC2	CB	CA	C	60.8°	175.6°
HBC2	CB	CA	HA	177.3°	56.3°
N	CA	C	HA	123.3°	116.2°
CA	N	H	H2	120.0°	165.9°
N	CA	C	O	61.0°	3.8°
N	CA	C	OXT	161.7°	175.5°
C	CA	N	H	140.2°	58.0°
C	CA	N	H2	99.8°	135.4°
CA	C	O	OXT	154.2°	179.2°
CA	C	OXT	HXT	180.0°	179.2°
HA	CA	N	H	18.7°	58.1°
HA	CA	N	H2	138.7°	108.5°
HA	CA	C	O	175.7°	120.0°
HA	CA	C	OXT	75.0°	59.3°
O	C	OXT	HXT	65.8°	0.1°

Definition date:	2005-09-11
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI