TPJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.24Å
C	CA	sing	1.51Å	1.49Å
CA	CB	sing	1.54Å	1.54Å
CA	N	sing	1.49Å	1.45Å
CB	CG	sing	1.54Å	1.53Å
CG	CD	sing	1.54Å	1.55Å
CD	C16	sing	1.53Å	1.56Å
CD	N	sing	1.49Å	1.46Å
C16	C17	sing	1.53Å	1.52Å
C16	C18	sing	1.53Å	1.55Å
C16	C19	sing	1.53Å	1.53Å
CA	HA	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
CG	HG2	sing	1.09Å	1.10Å
CG	HG3	sing	1.09Å	1.10Å
CD	HD2	sing	1.09Å	1.10Å
C17	H171	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
C17	H173	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C18	H183	sing	1.09Å	1.10Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C19	H193	sing	1.09Å	1.10Å
C	OXT	sing	1.34Å	100.07Å
OXT	HXT	sing	0.97Å	0.00Å
N	H	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	122.7°	120.1°
O	C	OXT	130.5°	120.0°
C	CA	CB	113.2°	110.4°
C	CA	N	117.6°	110.4°
C	CA	HA	107.5°	110.4°
CA	C	OXT	106.8°	120.0°
CB	CA	N	103.0°	104.6°
CA	CB	CG	105.4°	105.1°
CB	CA	HA	107.0°	110.5°
CA	CB	HB2	110.5°	110.3°
CA	CB	HB3	110.5°	110.3°
CA	N	CD	116.0°	104.2°
N	CA	HA	108.0°	110.5°
CA	N	H	107.8°	111.0°
CB	CG	CD	105.2°	105.1°
CG	CB	HB2	110.5°	110.4°
CG	CB	HB3	110.5°	110.3°
CB	CG	HG2	110.6°	110.3°
CB	CG	HG3	110.6°	110.3°
CG	CD	C16	115.0°	110.4°
CG	CD	N	99.9°	104.6°
CD	CG	HG2	110.5°	110.3°
CD	CG	HG3	110.5°	110.3°
CG	CD	HD2	107.5°	110.4°
C16	CD	N	118.2°	110.4°
CD	C16	C17	112.7°	109.5°
CD	C16	C18	116.3°	109.5°
CD	C16	C19	106.0°	109.5°
C16	CD	HD2	107.2°	110.4°
N	CD	HD2	108.5°	110.5°
CD	N	H	107.8°	111.0°
C17	C16	C18	106.6°	109.5°
C17	C16	C19	104.4°	109.5°
C16	C17	H171	109.5°	109.5°
C16	C17	H172	109.5°	109.5°
C16	C17	H173	109.4°	109.5°
C18	C16	C19	110.3°	109.5°
C16	C18	H181	109.5°	109.4°
C16	C18	H182	109.5°	109.5°
C16	C18	H183	109.5°	109.4°
C16	C19	H191	109.5°	109.5°
C16	C19	H192	109.5°	109.4°
C16	C19	H193	109.4°	109.4°
HB2	CB	HB3	109.5°	110.4°
HG2	CG	HG3	109.4°	110.4°
H171	C17	H172	109.4°	109.5°
H171	C17	H173	109.5°	109.5°
H172	C17	H173	109.5°	109.4°
H181	C18	H182	109.5°	109.5°
H181	C18	H183	109.5°	109.5°
H182	C18	H183	109.4°	109.5°
H191	C19	H192	109.4°	109.5°
H191	C19	H193	109.5°	109.5°
H192	C19	H193	109.5°	109.5°
C	OXT	HXT	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	OXT	178.4°	179.8°
O	C	CA	CB	105.2°	100.0°
O	C	CA	N	14.8°	15.1°
O	C	CA	HA	136.8°	137.6°
O	C	OXT	HXT	90.0°	0.1°
C	CA	CB	N	128.1°	118.7°
C	CA	CB	HA	118.2°	122.4°
C	CA	N	HA	121.7°	122.4°
C	CA	CB	CG	143.8°	142.6°
C	CA	N	CD	119.9°	158.2°
C	CA	CB	HB2	24.4°	23.7°
C	CA	CB	HB3	96.8°	98.5°
CA	C	OXT	HXT	90.0°	179.7°
C	CA	N	H	119.2°	82.2°
CB	CA	N	HA	112.9°	118.8°
CA	CB	CG	HB2	119.3°	118.9°
CA	CB	CG	HB3	119.4°	118.9°
CA	CB	CG	CD	30.1°	0.1°
CB	CA	N	CD	5.4°	39.5°
CA	CB	HB2	HB3	121.9°	122.1°
CA	CB	CG	HG2	149.4°	119.0°
CA	CB	CG	HG3	89.3°	118.9°
CB	CA	C	OXT	76.4°	79.8°
CB	CA	N	H	115.5°	159.0°
N	CA	CB	CG	15.7°	23.9°
CA	N	CD	CG	23.4°	39.4°
CA	N	CD	C16	102.0°	158.3°
CA	N	CD	H	120.9°	119.6°
N	CA	CB	HB2	103.7°	95.1°
N	CA	CB	HB3	135.0°	142.8°
CA	N	CD	HD2	135.7°	79.3°
N	CA	C	OXT	163.5°	165.1°
CB	CG	CD	HG2	119.4°	118.9°
CB	CG	CD	HG3	119.3°	118.9°
CB	CG	CD	C16	96.1°	142.6°
CB	CG	CD	N	31.4°	23.8°
CG	CB	CA	HA	98.0°	95.0°
CG	CB	HB2	HB3	121.9°	122.2°
CB	CG	HG2	HG3	122.0°	122.1°
CB	CG	CD	HD2	144.6°	95.0°
CG	CD	C16	N	117.7°	115.2°
CG	CD	C16	HD2	119.4°	122.3°
CG	CD	N	HD2	112.3°	118.8°
CG	CD	C16	C17	175.1°	60.0°
CG	CD	C16	C18	51.6°	180.0°
CG	CD	C16	C19	71.3°	60.0°
CD	CG	CB	HB2	89.3°	118.9°
CD	CG	CB	HB3	149.5°	118.9°
CD	CG	HG2	HG3	122.0°	122.2°
CG	CD	N	H	97.5°	159.0°
C16	CD	N	HD2	122.3°	122.4°
CD	C16	C17	C18	128.7°	120.0°
CD	C16	C17	C19	114.6°	120.0°
CD	C16	C18	C19	120.7°	120.0°
C16	CD	CG	HG2	23.2°	23.7°
C16	CD	CG	HG3	144.5°	98.5°
CD	C16	C17	H171	180.0°	60.0°
CD	C16	C17	H172	60.0°	180.0°
CD	C16	C17	H173	60.0°	60.0°
CD	C16	C18	H181	180.0°	60.0°
CD	C16	C18	H182	60.0°	180.0°
CD	C16	C18	H183	60.0°	60.0°
CD	C16	C19	H191	180.0°	60.0°
CD	C16	C19	H192	60.0°	180.0°
CD	C16	C19	H193	60.0°	60.1°
C16	CD	N	H	137.0°	82.2°
N	CD	C16	C17	57.5°	175.2°
N	CD	C16	C18	66.1°	64.8°
N	CD	C16	C19	171.0°	55.2°
CD	N	CA	HA	118.4°	79.4°
N	CD	CG	HG2	150.8°	95.1°
N	CD	CG	HG3	87.9°	142.7°
C17	C16	C18	C19	112.7°	120.0°
C17	C16	CD	HD2	65.4°	62.4°
C16	C17	H171	H172	120.0°	120.0°
C16	C17	H171	H173	120.0°	120.0°
C16	C17	H172	H173	120.0°	120.0°
C17	C16	C18	H181	53.4°	180.0°
C17	C16	C18	H182	66.6°	60.0°
C17	C16	C18	H183	173.4°	60.0°
C17	C16	C19	H191	60.8°	60.0°
C17	C16	C19	H192	179.2°	60.0°
C17	C16	C19	H193	59.2°	180.0°
C18	C16	CD	HD2	171.0°	57.6°
C18	C16	C17	H171	51.3°	60.0°
C18	C16	C17	H172	171.3°	60.0°
C18	C16	C17	H173	68.7°	180.0°
C16	C18	H181	H182	120.0°	120.0°
C16	C18	H181	H183	120.0°	120.0°
C16	C18	H182	H183	120.0°	120.0°
C18	C16	C19	H191	53.4°	180.0°
C18	C16	C19	H192	66.6°	60.0°
C18	C16	C19	H193	173.4°	60.0°
C19	C16	CD	HD2	48.1°	177.7°
C19	C16	C17	H171	65.4°	180.0°
C19	C16	C17	H172	54.5°	60.0°
C19	C16	C17	H173	174.6°	60.0°
C19	C16	C18	H181	59.4°	60.0°
C19	C16	C18	H182	179.3°	60.0°
C19	C16	C18	H183	60.7°	180.0°
C16	C19	H191	H192	120.0°	120.0°
C16	C19	H191	H193	120.0°	120.0°
C16	C19	H192	H193	120.0°	119.9°
HA	CA	CB	HB2	142.6°	146.1°
HA	CA	CB	HB3	21.4°	23.9°
HA	CA	C	OXT	41.5°	42.6°
HA	CA	N	H	2.6°	40.2°
HB2	CB	CG	HG2	30.1°	0.1°
HB2	CB	CG	HG3	151.4°	122.2°
HB3	CB	CG	HG2	91.2°	122.2°
HB3	CB	CG	HG3	30.1°	0.0°
HG2	CG	CD	HD2	96.1°	146.1°
HG3	CG	CD	HD2	25.2°	23.9°
HD2	CD	N	H	14.8°	40.2°
H171	C17	H172	H173	120.0°	120.0°
H181	C18	H182	H183	120.0°	120.0°
H191	C19	H192	H193	120.0°	120.1°

Definition date:	2012-03-15
Last modified:	2024-09-27
Release status:	REL
Processing site:	EBI
Derived from:	4AMY