TY5

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	1.54Å
CA	CB	sing	1.53Å	1.57Å
CA	N	sing	1.47Å	1.50Å
CA	HA	sing	1.09Å	1.10Å
N	H	sing	1.01Å	1.00Å
CB	CG	sing	1.51Å	1.54Å
CB	H41	sing	1.09Å	1.10Å
CB	H41A	sing	1.09Å	1.10Å
CG	CD1	doub	1.38Å	1.43Å	Aromatic
CG	CD2	sing	1.38Å	1.42Å	Aromatic
CD2	CE2	doub	1.38Å	1.42Å	Aromatic
CD2	H43	sing	1.08Å	1.08Å
CE2	CZ	sing	1.39Å	1.43Å	Aromatic
CE2	H44	sing	1.08Å	1.08Å
CE1	CZ	doub	1.39Å	1.41Å	Aromatic
CZ	OH	sing	1.36Å	1.42Å
CD1	CE1	sing	1.38Å	1.40Å	Aromatic
CE1	H46	sing	1.08Å	1.08Å
CD1	H47	sing	1.08Å	1.08Å
OH	C49	sing	1.43Å	1.45Å
C49	C50	sing	1.51Å	1.53Å
C49	H49	sing	1.09Å	1.10Å
C49	H49A	sing	1.09Å	1.10Å
C51	C50	doub	1.38Å	1.42Å	Aromatic
C50	C55	sing	1.38Å	1.42Å	Aromatic
C52	C51	sing	1.38Å	1.42Å	Aromatic
C51	H51	sing	1.08Å	1.08Å
C52	C53	doub	1.38Å	1.42Å	Aromatic
C52	H52	sing	1.08Å	1.08Å
C53	C54	sing	1.38Å	1.42Å	Aromatic
C53	H53	sing	1.08Å	1.08Å
C54	C55	doub	1.38Å	1.42Å	Aromatic
C54	H54	sing	1.08Å	1.08Å
C55	H55	sing	1.08Å	1.08Å
C	OXT	sing	1.34Å	139.99Å
OXT	HXT	sing	0.97Å	0.00Å
N	H2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	118.8°	120.0°
O	C	OXT	155.6°	120.0°
C	CA	CB	109.0°	109.5°
C	CA	N	107.4°	109.5°
C	CA	HA	112.3°	109.5°
CA	C	OXT	83.4°	120.0°
CB	CA	N	112.8°	109.5°
CB	CA	HA	106.9°	109.5°
CA	CB	CG	110.2°	109.5°
CA	CB	H41	109.2°	109.5°
CA	CB	H41A	109.2°	109.5°
N	CA	HA	108.5°	109.4°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
H	N	H2	109.5°	110.9°
CG	CB	H41	109.2°	109.5°
CG	CB	H41A	109.2°	109.5°
CB	CG	CD1	119.2°	120.0°
CB	CG	CD2	121.7°	120.0°
H41	CB	H41A	109.7°	109.5°
CD1	CG	CD2	119.1°	120.1°
CG	CD1	CE1	120.4°	120.1°
CG	CD1	H47	119.8°	119.9°
CG	CD2	CE2	120.6°	120.1°
CG	CD2	H43	119.7°	120.0°
CE2	CD2	H43	119.7°	120.0°
CD2	CE2	CZ	119.9°	119.9°
CD2	CE2	H44	120.1°	120.0°
CZ	CE2	H44	120.1°	120.1°
CE2	CZ	CE1	119.0°	119.9°
CE2	CZ	OH	124.9°	120.0°
CE1	CZ	OH	116.2°	120.1°
CZ	CE1	CD1	121.1°	120.0°
CZ	CE1	H46	119.4°	120.0°
CZ	OH	C49	127.0°	117.0°
CD1	CE1	H46	119.4°	120.0°
CE1	CD1	H47	119.8°	120.0°
OH	C49	C50	115.8°	109.5°
OH	C49	H49	107.4°	109.5°
OH	C49	H49A	107.4°	109.4°
C50	C49	H49	107.4°	109.5°
C50	C49	H49A	107.4°	109.4°
C49	C50	C51	119.8°	120.0°
C49	C50	C55	120.6°	120.0°
H49	C49	H49A	111.4°	109.5°
C51	C50	C55	119.6°	120.0°
C50	C51	C52	120.7°	120.0°
C50	C51	H51	119.7°	120.0°
C50	C55	C54	119.8°	120.0°
C50	C55	H55	120.1°	120.0°
C52	C51	H51	119.7°	120.0°
C51	C52	C53	119.8°	120.0°
C51	C52	H52	120.1°	120.1°
C53	C52	H52	120.1°	120.0°
C52	C53	C54	119.8°	120.0°
C52	C53	H53	120.1°	120.0°
C54	C53	H53	120.1°	120.0°
C53	C54	C55	120.4°	120.0°
C53	C54	H54	119.8°	120.0°
C55	C54	H54	119.8°	120.0°
C54	C55	H55	120.1°	120.0°
C	OXT	HXT	90.0°	116.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	OXT	169.2°	179.7°
O	C	CA	CB	69.5°	100.0°
O	C	CA	N	53.0°	20.0°
O	C	CA	HA	172.2°	140.0°
O	C	OXT	HXT	90.0°	0.0°
C	CA	CB	N	119.2°	120.0°
C	CA	CB	HA	121.6°	120.0°
C	CA	N	HA	121.6°	120.0°
C	CA	N	H	180.0°	63.9°
C	CA	CB	CG	177.7°	175.0°
C	CA	CB	H41	62.4°	65.0°
C	CA	CB	H41A	57.6°	55.0°
CA	C	OXT	HXT	90.0°	179.7°
C	CA	N	H2	60.0°	60.0°
CB	CA	N	HA	118.3°	120.0°
CB	CA	N	H	59.9°	176.0°
CA	CB	CG	H41	120.0°	120.0°
CA	CB	CG	H41A	120.0°	120.0°
CA	CB	H41	H41A	119.7°	120.0°
CA	CB	CG	CD1	78.3°	90.0°
CA	CB	CG	CD2	101.3°	89.8°
CB	CA	C	OXT	99.7°	79.7°
CB	CA	N	H2	179.9°	60.0°
CA	N	H	H2	120.0°	124.0°
N	CA	CB	CG	63.1°	65.0°
N	CA	CB	H41	56.9°	55.0°
N	CA	CB	H41A	176.9°	175.0°
N	CA	C	OXT	137.8°	160.3°
HA	CA	N	H	58.4°	56.0°
HA	CA	CB	CG	56.0°	55.0°
HA	CA	CB	H41	176.0°	175.0°
HA	CA	CB	H41A	64.0°	65.0°
HA	CA	C	OXT	18.6°	40.3°
HA	CA	N	H2	61.6°	179.9°
CG	CB	H41	H41A	119.7°	120.0°
CB	CG	CD1	CD2	179.6°	179.8°
CB	CG	CD2	CE2	179.8°	180.0°
CB	CG	CD2	H43	0.2°	0.0°
CB	CG	CD1	CE1	179.8°	179.7°
CB	CG	CD1	H47	0.2°	0.1°
H41	CB	CG	CD1	161.7°	30.0°
H41	CB	CG	CD2	18.7°	150.3°
H41A	CB	CG	CD1	41.7°	150.0°
H41A	CB	CG	CD2	138.7°	30.2°
CD1	CG	CD2	CE2	0.2°	0.3°
CD1	CG	CD2	H43	179.8°	179.7°
CG	CD1	CE1	CZ	0.2°	0.5°
CG	CD1	CE1	H47	180.0°	179.8°
CG	CD1	CE1	H46	179.8°	179.7°
CG	CD2	CE2	H43	180.0°	180.0°
CG	CD2	CE2	CZ	0.1°	0.0°
CG	CD2	CE2	H44	179.9°	180.0°
CD2	CG	CD1	CE1	0.2°	0.5°
CD2	CG	CD1	H47	179.8°	179.7°
CD2	CE2	CZ	H44	180.0°	180.0°
CD2	CE2	CZ	CE1	0.0°	0.0°
CD2	CE2	CZ	OH	179.7°	180.0°
H43	CD2	CE2	CZ	179.9°	180.0°
H43	CD2	CE2	H44	0.1°	0.0°
CE2	CZ	CE1	OH	179.7°	180.0°
CE2	CZ	CE1	CD1	0.1°	0.2°
CE2	CZ	CE1	H46	180.0°	179.9°
CE2	CZ	OH	C49	0.1°	180.0°
H44	CE2	CZ	CE1	180.0°	180.0°
H44	CE2	CZ	OH	0.3°	0.0°
CZ	CE1	CD1	H46	180.0°	179.8°
CZ	CE1	CD1	H47	179.8°	179.7°
CE1	CZ	OH	C49	179.8°	0.0°
OH	CZ	CE1	CD1	179.8°	179.8°
OH	CZ	CE1	H46	0.2°	0.0°
CZ	OH	C49	C50	76.9°	180.0°
CZ	OH	C49	H49	163.1°	60.0°
CZ	OH	C49	H49A	43.1°	60.1°
H46	CE1	CD1	H47	0.2°	0.1°
OH	C49	C50	H49	120.0°	120.0°
OH	C49	C50	H49A	120.0°	119.9°
OH	C49	H49	H49A	117.4°	120.0°
OH	C49	C50	C51	24.9°	89.7°
OH	C49	C50	C55	155.3°	90.0°
C50	C49	H49	H49A	117.4°	120.0°
C49	C50	C51	C55	179.8°	179.7°
C49	C50	C51	C52	179.9°	180.0°
C49	C50	C51	H51	0.0°	0.0°
C49	C50	C55	C54	179.9°	179.8°
C49	C50	C55	H55	0.1°	0.0°
H49	C49	C50	C51	95.1°	150.3°
H49	C49	C50	C55	84.7°	30.0°
H49A	C49	C50	C51	144.9°	30.3°
H49A	C49	C50	C55	35.3°	150.1°
C50	C51	C52	H51	180.0°	180.0°
C50	C51	C52	C53	0.1°	0.0°
C50	C51	C52	H52	179.9°	180.0°
C51	C50	C55	C54	0.3°	0.5°
C51	C50	C55	H55	179.7°	179.7°
C55	C50	C51	C52	0.3°	0.3°
C55	C50	C51	H51	179.8°	179.7°
C50	C55	C54	C53	0.3°	0.5°
C50	C55	C54	H55	180.0°	179.8°
C50	C55	C54	H54	179.8°	179.7°
C51	C52	C53	H52	180.0°	180.0°
C51	C52	C53	C54	0.0°	0.0°
C51	C52	C53	H53	180.0°	180.0°
H51	C51	C52	C53	180.0°	179.9°
H51	C51	C52	H52	0.0°	0.1°
C52	C53	C54	H53	180.0°	180.0°
C52	C53	C54	C55	0.1°	0.2°
C52	C53	C54	H54	179.9°	179.9°
H52	C52	C53	C54	180.0°	180.0°
H52	C52	C53	H53	0.0°	0.0°
C53	C54	C55	H54	180.0°	179.9°
C53	C54	C55	H55	179.7°	179.8°
H53	C53	C54	C55	179.9°	179.8°
H53	C53	C54	H54	0.1°	0.0°
H54	C54	C55	H55	0.2°	0.1°

Definition date:	2010-12-10
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	3NZJ