U2X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.24Å
C	CA	sing	1.51Å	1.50Å
N	CA	sing	1.47Å	1.51Å
CA	CB	sing	1.53Å	1.49Å
CB	CG	sing	1.51Å	1.49Å
CG	CD1	doub	1.38Å	1.46Å	Aromatic
CG	CD2	sing	1.38Å	1.34Å	Aromatic
CD1	CE1	sing	1.38Å	1.32Å	Aromatic
CD2	CE2	doub	1.38Å	1.38Å	Aromatic
CE1	CZ	doub	1.39Å	1.43Å	Aromatic
CE2	CZ	sing	1.39Å	1.36Å	Aromatic
CZ	OH	sing	1.36Å	1.42Å
OH	C7	sing	1.43Å	1.43Å
C7	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.49Å
C3	C2	sing	1.53Å	1.51Å
C4	C5	sing	1.53Å	1.47Å
C2	C1	sing	1.53Å	1.50Å
C5	C6	sing	1.53Å	1.48Å
C1	C6	sing	1.53Å	1.46Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	HA	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
CD1	HD11	sing	1.08Å	1.08Å
CD2	HD21	sing	1.08Å	1.08Å
CE1	HE11	sing	1.08Å	1.08Å
CE2	HE21	sing	1.08Å	1.08Å
C7	H72	sing	1.09Å	1.10Å
C7	H71	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C	OXT	sing	1.34Å	37.86Å
OXT	HXT	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	121.7°	120.0°
O	C	OXT	59.2°	120.0°
C	CA	N	113.8°	109.5°
C	CA	CB	108.6°	109.4°
C	CA	HA	106.7°	109.5°
CA	C	OXT	82.1°	120.0°
N	CA	CB	113.9°	109.5°
CA	N	H	109.5°	111.1°
CA	N	H2	109.4°	111.0°
N	CA	HA	106.6°	109.5°
CA	CB	CG	117.9°	109.5°
CB	CA	HA	106.8°	109.4°
CA	CB	HB2	107.3°	109.5°
CA	CB	HB3	107.3°	109.5°
CB	CG	CD1	122.8°	120.0°
CB	CG	CD2	118.3°	120.0°
CG	CB	HB2	107.3°	109.4°
CG	CB	HB3	107.3°	109.4°
CD1	CG	CD2	118.9°	120.1°
CG	CD1	CE1	119.4°	120.1°
CG	CD1	HD11	120.3°	119.9°
CG	CD2	CE2	121.5°	120.1°
CG	CD2	HD21	119.2°	119.9°
CD1	CE1	CZ	120.7°	120.0°
CE1	CD1	HD11	120.3°	120.0°
CD1	CE1	HE11	119.7°	120.1°
CD2	CE2	CZ	120.2°	119.9°
CE2	CD2	HD21	119.2°	120.0°
CD2	CE2	HE21	119.9°	120.0°
CE1	CZ	CE2	119.2°	119.9°
CE1	CZ	OH	121.9°	120.1°
CZ	CE1	HE11	119.6°	120.0°
CE2	CZ	OH	118.9°	120.0°
CZ	CE2	HE21	119.9°	120.1°
CZ	OH	C7	118.4°	117.0°
OH	C7	C3	126.9°	109.5°
OH	C7	H72	105.0°	109.5°
OH	C7	H71	105.0°	109.5°
C7	C3	C4	109.9°	109.5°
C7	C3	C2	124.1°	109.4°
C3	C7	H72	105.0°	109.5°
C3	C7	H71	105.0°	109.5°
C7	C3	H31	94.7°	109.5°
C4	C3	C2	123.9°	109.5°
C3	C4	C5	112.7°	109.5°
C4	C3	H31	94.8°	109.5°
C3	C4	H41	108.7°	109.5°
C3	C4	H42	108.6°	109.5°
C3	C2	C1	115.4°	109.5°
C3	C2	H21	108.0°	109.5°
C3	C2	H22	108.0°	109.5°
C2	C3	H31	94.7°	109.5°
C4	C5	C6	112.7°	109.5°
C5	C4	H41	108.7°	109.5°
C5	C4	H42	108.7°	109.5°
C4	C5	H51	108.7°	109.5°
C4	C5	H52	108.7°	109.4°
C2	C1	C6	113.5°	109.5°
C2	C1	H11	108.5°	109.4°
C2	C1	H12	108.5°	109.5°
C1	C2	H21	108.0°	109.4°
C1	C2	H22	107.9°	109.5°
C5	C6	C1	112.7°	109.5°
C6	C5	H51	108.7°	109.5°
C6	C5	H52	108.7°	109.5°
C5	C6	H61	108.7°	109.5°
C5	C6	H62	108.7°	109.5°
C6	C1	H11	108.4°	109.4°
C6	C1	H12	108.4°	109.5°
C1	C6	H61	108.7°	109.5°
C1	C6	H62	108.7°	109.4°
H	N	H2	109.5°	111.0°
HB2	CB	HB3	109.5°	109.4°
H72	C7	H71	109.5°	109.4°
H11	C1	H12	109.5°	109.5°
H21	C2	H22	109.5°	109.5°
H41	C4	H42	109.5°	109.5°
H51	C5	H52	109.5°	109.5°
H61	C6	H62	109.5°	109.4°
C	OXT	HXT	90.0°	117.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	OXT	46.2°	180.0°
O	C	CA	N	27.2°	20.0°
O	C	CA	CB	100.7°	100.0°
O	C	CA	HA	144.5°	140.0°
O	C	OXT	HXT	90.0°	0.0°
C	CA	N	CB	125.2°	119.9°
C	CA	N	HA	117.3°	120.1°
C	CA	CB	HA	114.7°	120.0°
C	CA	CB	CG	174.4°	175.0°
C	CA	N	H	180.0°	59.9°
C	CA	N	H2	60.0°	176.0°
C	CA	CB	HB2	53.2°	65.0°
C	CA	CB	HB3	64.4°	55.0°
CA	C	OXT	HXT	90.0°	180.0°
N	CA	CB	HA	117.4°	120.0°
N	CA	CB	CG	46.5°	65.0°
CA	N	H	H2	120.0°	124.0°
N	CA	CB	HB2	74.8°	54.9°
N	CA	CB	HB3	167.7°	175.0°
N	CA	C	OXT	73.4°	160.0°
CA	CB	CG	HB2	121.2°	120.0°
CA	CB	CG	HB3	121.2°	120.0°
CA	CB	CG	CD1	54.1°	90.0°
CA	CB	CG	CD2	124.3°	90.3°
CB	CA	N	H	54.8°	60.0°
CB	CA	N	H2	174.8°	64.0°
CA	CB	HB2	HB3	116.1°	120.1°
CB	CA	C	OXT	54.6°	80.0°
CB	CG	CD1	CD2	178.3°	179.7°
CB	CG	CD1	CE1	178.8°	179.9°
CB	CG	CD2	CE2	179.4°	180.0°
CG	CB	CA	HA	70.9°	55.0°
CG	CB	HB2	HB3	116.2°	119.9°
CB	CG	CD1	HD11	1.2°	0.0°
CB	CG	CD2	HD21	0.5°	0.1°
CG	CD1	CE1	HD11	180.0°	179.9°
CD1	CG	CD2	CE2	2.1°	0.3°
CG	CD1	CE1	CZ	2.4°	0.1°
CD1	CG	CB	HB2	175.3°	30.0°
CD1	CG	CB	HB3	67.1°	150.0°
CD1	CG	CD2	HD21	177.9°	179.8°
CG	CD1	CE1	HE11	177.6°	180.0°
CD2	CG	CD1	CE1	2.8°	0.3°
CG	CD2	CE2	HD21	180.0°	179.9°
CG	CD2	CE2	CZ	1.1°	0.0°
CD2	CG	CB	HB2	3.0°	149.7°
CD2	CG	CB	HB3	114.5°	29.8°
CD2	CG	CD1	HD11	177.2°	179.8°
CG	CD2	CE2	HE21	178.9°	180.0°
CD1	CE1	CZ	HE11	180.0°	179.9°
CD1	CE1	CZ	CE2	1.3°	0.2°
CD1	CE1	CZ	OH	178.9°	180.0°
CD2	CE2	CZ	CE1	0.6°	0.2°
CD2	CE2	CZ	HE21	180.0°	179.9°
CD2	CE2	CZ	OH	179.7°	180.0°
CE1	CZ	CE2	OH	179.8°	179.7°
CE1	CZ	OH	C7	32.3°	180.0°
CZ	CE1	CD1	HD11	177.6°	180.0°
CE1	CZ	CE2	HE21	179.4°	179.7°
CE2	CZ	OH	C7	147.5°	0.3°
CZ	CE2	CD2	HD21	178.9°	179.9°
CE2	CZ	CE1	HE11	178.7°	179.7°
CZ	OH	C7	C3	136.4°	180.0°
OH	CZ	CE1	HE11	1.1°	0.1°
OH	CZ	CE2	HE21	0.3°	0.0°
CZ	OH	C7	H72	14.1°	60.0°
CZ	OH	C7	H71	101.2°	60.0°
OH	C7	C3	H72	122.3°	120.1°
OH	C7	C3	H71	122.3°	120.0°
OH	C7	C3	C4	40.4°	175.0°
OH	C7	C3	C2	123.8°	65.0°
OH	C7	H72	H71	112.2°	120.0°
OH	C7	C3	H31	137.3°	55.0°
C7	C3	C4	C2	164.2°	120.0°
C7	C3	C4	H31	96.8°	120.0°
C7	C3	C2	H31	98.9°	120.0°
C7	C3	C4	C5	169.2°	180.0°
C7	C3	C2	C1	156.7°	180.0°
C3	C7	H72	H71	112.2°	120.0°
C7	C3	C2	H21	82.5°	60.0°
C7	C3	C2	H22	35.8°	60.0°
C7	C3	C4	H41	48.8°	60.0°
C7	C3	C4	H42	70.3°	60.0°
C4	C3	C2	H31	99.0°	120.1°
C3	C4	C5	H41	120.5°	120.0°
C3	C4	C5	H42	120.5°	120.0°
C4	C3	C2	C1	5.4°	60.0°
C3	C4	C5	C6	38.1°	60.0°
C4	C3	C7	H72	81.9°	64.9°
C4	C3	C7	H71	162.8°	55.0°
C4	C3	C2	H21	115.5°	60.0°
C4	C3	C2	H22	126.2°	180.0°
C3	C4	H41	H42	118.5°	120.0°
C3	C4	C5	H51	158.6°	180.0°
C3	C4	C5	H52	82.4°	60.0°
C2	C3	C4	C5	5.0°	60.0°
C3	C2	C1	H21	120.9°	120.0°
C3	C2	C1	H22	120.9°	120.0°
C3	C2	C1	C6	18.0°	60.0°
C2	C3	C7	H72	113.9°	55.0°
C2	C3	C7	H71	1.4°	175.0°
C3	C2	C1	H11	102.6°	60.0°
C3	C2	C1	H12	138.6°	180.0°
C3	C2	H21	H22	117.3°	120.1°
C2	C3	C4	H41	115.5°	60.0°
C2	C3	C4	H42	125.5°	180.0°
C4	C5	C6	H51	120.5°	120.0°
C4	C5	C6	H52	120.5°	120.0°
C4	C5	C6	C1	64.4°	60.0°
C5	C4	C3	H31	94.0°	60.0°
C5	C4	H41	H42	118.6°	120.0°
C4	C5	H51	H52	118.6°	119.9°
C4	C5	C6	H61	56.1°	180.0°
C4	C5	C6	H62	175.2°	60.0°
C2	C1	C6	C5	52.3°	60.0°
C2	C1	C6	H11	120.6°	119.9°
C2	C1	C6	H12	120.6°	120.0°
C2	C1	H11	H12	118.2°	120.0°
C1	C2	H21	H22	117.3°	119.9°
C1	C2	C3	H31	104.4°	60.0°
C2	C1	C6	H61	68.2°	180.0°
C2	C1	C6	H62	172.8°	60.1°
C5	C6	C1	H61	120.5°	120.0°
C5	C6	C1	H62	120.5°	120.0°
C5	C6	C1	H11	68.3°	60.0°
C5	C6	C1	H12	172.9°	180.0°
C6	C5	C4	H41	82.4°	60.0°
C6	C5	C4	H42	158.6°	180.0°
C6	C5	H51	H52	118.5°	120.0°
C5	C6	H61	H62	118.5°	120.0°
C6	C1	H11	H12	118.1°	120.0°
C6	C1	C2	H21	138.9°	60.1°
C6	C1	C2	H22	102.8°	180.0°
C1	C6	C5	H51	175.2°	180.0°
C1	C6	C5	H52	56.1°	60.0°
C1	C6	H61	H62	118.5°	120.0°
H	N	CA	HA	62.7°	180.0°
H2	N	CA	HA	57.3°	56.0°
HA	CA	CB	HB2	167.9°	175.0°
HA	CA	CB	HB3	50.3°	65.0°
HA	CA	C	OXT	169.4°	39.9°
HD11	CD1	CE1	HE11	2.4°	0.1°
HD21	CD2	CE2	HE21	1.1°	0.1°
H72	C7	C3	H31	15.0°	175.0°
H71	C7	C3	H31	100.4°	65.0°
H11	C1	C2	H21	18.3°	NaN°
H11	C1	C2	H22	136.6°	60.0°
H11	C1	C6	H61	171.2°	60.0°
H11	C1	C6	H62	52.2°	180.0°
H12	C1	C2	H21	100.5°	60.0°
H12	C1	C2	H22	17.7°	59.9°
H12	C1	C6	H61	52.4°	60.0°
H12	C1	C6	H62	66.6°	60.0°
H21	C2	C3	H31	16.4°	180.0°
H22	C2	C3	H31	134.7°	60.0°
H31	C3	C4	H41	145.5°	180.0°
H31	C3	C4	H42	26.5°	60.0°
H41	C4	C5	H51	38.1°	60.0°
H41	C4	C5	H52	157.2°	180.0°
H42	C4	C5	H51	80.9°	59.9°
H42	C4	C5	H52	38.1°	60.0°
H51	C5	C6	H61	64.3°	60.0°
H51	C5	C6	H62	54.7°	60.0°
H52	C5	C6	H61	176.6°	60.0°
H52	C5	C6	H62	64.4°	180.0°

Definition date:	2012-01-12
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	3VEI