04X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.48Å
C2	O1	sing	1.43Å	1.37Å
C	CA	sing	1.51Å	1.55Å
C	O	doub	1.21Å	1.17Å
N1	C1	sing	1.47Å	1.45Å
N1	C0	sing	1.47Å	1.46Å
N1	C4	sing	1.47Å	1.46Å
O1	C3	sing	1.43Å	1.39Å
CA	N	sing	1.47Å	1.42Å
CA	CB	sing	1.53Å	1.46Å
N	CE	sing	1.47Å	1.42Å
C4	C3	sing	1.53Å	1.51Å
CB	CG	sing	1.50Å	1.47Å
CG	CD	doub	1.30Å	1.32Å
CD	CE	sing	1.50Å	1.52Å
CD	C0	sing	1.51Å	1.54Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
C1	H16	sing	1.09Å	1.10Å
CA	HA	sing	1.09Å	1.10Å
C4	H32	sing	1.09Å	1.10Å
C4	H33	sing	1.09Å	1.10Å
CB	H39	sing	1.09Å	1.10Å
CB	H40	sing	1.09Å	1.10Å
CG	H41	sing	1.08Å	1.08Å
CE	H44	sing	1.09Å	1.10Å
CE	H45	sing	1.09Å	1.10Å
C0	H55	sing	1.09Å	1.10Å
C0	H56	sing	1.09Å	1.10Å
C3	H63	sing	1.09Å	1.10Å
C3	H64	sing	1.09Å	1.10Å
C	OXT	sing	1.34Å	1.41Å
OXT	HXT	sing	0.97Å	0.95Å
N	H	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	O1	104.8°	109.2°
C2	C1	N1	104.0°	109.3°
C1	C2	H4	110.6°	109.5°
C1	C2	H5	110.6°	109.5°
C2	C1	H15	110.8°	109.5°
C2	C1	H16	110.8°	109.5°
C2	O1	C3	118.4°	113.7°
O1	C2	H4	110.6°	109.5°
O1	C2	H5	110.6°	109.5°
CA	C	O	121.0°	120.0°
C	CA	N	99.2°	109.6°
C	CA	CB	112.2°	109.6°
C	CA	HA	108.9°	109.6°
CA	C	OXT	124.7°	120.0°
O	C	OXT	114.4°	120.0°
C1	N1	C0	131.4°	111.0°
C1	N1	C4	119.4°	110.7°
N1	C1	H15	110.8°	109.5°
N1	C1	H16	110.8°	109.5°
C0	N1	C4	109.2°	111.0°
N1	C0	CD	109.1°	109.5°
N1	C0	H55	109.6°	109.5°
N1	C0	H56	109.6°	109.4°
N1	C4	C3	106.6°	109.3°
N1	C4	H32	110.2°	109.5°
N1	C4	H33	110.2°	109.5°
O1	C3	C4	110.4°	109.3°
O1	C3	H63	109.2°	109.5°
O1	C3	H64	109.2°	109.5°
N	CA	CB	115.2°	108.5°
CA	N	CE	118.8°	110.2°
N	CA	HA	110.7°	109.7°
CA	N	H	107.1°	111.0°
CA	CB	CG	110.5°	109.7°
CB	CA	HA	110.1°	109.8°
CA	CB	H39	109.2°	109.4°
CA	CB	H40	109.2°	109.4°
N	CE	CD	108.9°	110.3°
N	CE	H44	109.6°	109.3°
N	CE	H45	109.6°	109.3°
CE	N	H	107.1°	111.0°
C3	C4	H32	110.2°	109.5°
C3	C4	H33	110.2°	109.5°
C4	C3	H63	109.3°	109.5°
C4	C3	H64	109.3°	109.5°
CB	CG	CD	125.4°	122.9°
CG	CB	H39	109.2°	109.5°
CG	CB	H40	109.2°	109.4°
CB	CG	H41	117.3°	118.6°
CG	CD	CE	122.1°	123.3°
CG	CD	C0	111.5°	118.4°
CD	CG	H41	117.3°	118.5°
CE	CD	C0	126.3°	118.3°
CD	CE	H44	109.6°	109.3°
CD	CE	H45	109.6°	109.4°
CD	C0	H55	109.6°	109.5°
CD	C0	H56	109.5°	109.5°
H4	C2	H5	109.5°	109.6°
H15	C1	H16	109.5°	109.5°
H32	C4	H33	109.5°	109.5°
H39	CB	H40	109.5°	109.4°
H44	CE	H45	109.5°	109.2°
H55	C0	H56	109.5°	109.5°
H63	C3	H64	109.5°	109.5°
C	OXT	HXT	109.5°	117.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	O1	H4	119.3°	119.9°
C1	C2	O1	H5	119.3°	119.9°
C2	C1	N1	H15	119.1°	119.9°
C2	C1	N1	H16	119.1°	119.9°
C2	C1	N1	C0	117.3°	177.6°
C2	C1	N1	C4	59.4°	58.6°
C1	C2	O1	C3	68.7°	58.7°
C1	C2	H4	H5	122.2°	120.1°
C2	C1	H15	H16	122.5°	120.1°
O1	C2	C1	N1	61.3°	56.9°
C2	O1	C3	C4	58.6°	58.7°
O1	C2	H4	H5	122.1°	120.1°
O1	C2	C1	H15	179.6°	63.1°
O1	C2	C1	H16	57.9°	176.8°
C2	O1	C3	H63	178.8°	61.3°
C2	O1	C3	H64	61.5°	178.6°
CA	C	O	OXT	178.7°	180.0°
C	CA	N	CB	119.9°	119.7°
C	CA	N	HA	114.4°	120.4°
C	CA	CB	HA	121.5°	120.5°
C	CA	N	CE	65.8°	171.5°
C	CA	CB	CG	77.8°	168.7°
C	CA	CB	H39	42.4°	48.6°
C	CA	CB	H40	162.1°	71.3°
CA	C	OXT	HXT	178.7°	180.0°
C	CA	N	H	172.9°	48.1°
O	C	CA	N	144.1°	20.0°
O	C	CA	CB	22.0°	99.0°
O	C	CA	HA	100.1°	140.4°
O	C	OXT	HXT	0.0°	0.0°
C1	N1	C0	C4	177.0°	123.6°
C1	N1	C4	C3	48.8°	58.6°
C1	N1	C0	CD	26.7°	170.0°
N1	C1	C2	H4	179.5°	63.1°
N1	C1	C2	H5	58.0°	176.8°
N1	C1	H15	H16	122.5°	120.1°
C1	N1	C4	H32	168.3°	61.3°
C1	N1	C4	H33	70.8°	178.6°
C1	N1	C0	H55	93.3°	70.0°
C1	N1	C0	H56	146.6°	50.0°
C0	N1	C4	C3	128.6°	177.6°
N1	C0	CD	CG	91.7°	95.0°
N1	C0	CD	CE	88.3°	85.0°
N1	C0	CD	H55	120.0°	120.0°
N1	C0	CD	H56	119.9°	120.0°
C0	N1	C1	H15	1.8°	62.5°
C0	N1	C1	H16	123.6°	57.7°
C0	N1	C4	H32	9.0°	62.4°
C0	N1	C4	H33	111.8°	57.7°
N1	C0	H55	H56	120.2°	120.0°
N1	C4	C3	O1	41.5°	56.9°
N1	C4	C3	H32	119.6°	119.9°
N1	C4	C3	H33	119.5°	119.9°
C4	N1	C0	CD	150.3°	66.4°
C4	N1	C1	H15	178.5°	61.3°
C4	N1	C1	H16	59.7°	178.6°
N1	C4	H32	H33	121.3°	120.1°
C4	N1	C0	H55	89.8°	53.6°
C4	N1	C0	H56	30.3°	173.6°
N1	C4	C3	H63	161.6°	63.1°
N1	C4	C3	H64	78.6°	176.8°
O1	C3	C4	H63	120.2°	120.0°
O1	C3	C4	H64	120.1°	119.9°
C3	O1	C2	H4	172.0°	61.2°
C3	O1	C2	H5	50.5°	178.6°
O1	C3	C4	H32	161.1°	63.1°
O1	C3	C4	H33	78.0°	176.8°
O1	C3	H63	H64	119.6°	120.1°
N	CA	CB	HA	126.0°	119.8°
CA	N	CE	H	121.3°	123.4°
N	CA	CB	CG	34.7°	49.0°
CA	N	CE	CD	40.7°	50.9°
N	CA	CB	H39	154.9°	71.1°
N	CA	CB	H40	85.4°	169.0°
CA	N	CE	H44	160.6°	69.3°
CA	N	CE	H45	79.2°	171.2°
N	CA	C	OXT	34.4°	160.0°
CB	CA	N	CE	54.2°	68.8°
CA	CB	CG	H39	120.2°	120.0°
CA	CB	CG	H40	120.2°	120.0°
CA	CB	CG	CD	10.6°	16.5°
CA	CB	H39	H40	119.5°	119.9°
CA	CB	CG	H41	169.4°	163.6°
CB	CA	C	OXT	156.6°	81.0°
CB	CA	N	H	67.2°	167.8°
N	CE	CD	CG	14.5°	17.1°
N	CE	CD	H44	119.9°	120.2°
N	CE	CD	H45	119.9°	120.3°
N	CE	CD	C0	165.5°	162.9°
CE	N	CA	HA	179.9°	51.1°
N	CE	H44	H45	120.3°	119.6°
C3	C4	H32	H33	121.3°	120.1°
C4	C3	H63	H64	119.6°	120.1°
CB	CG	CD	H41	180.0°	179.9°
CB	CG	CD	CE	1.0°	0.4°
CB	CG	CD	C0	179.0°	179.6°
CG	CB	CA	HA	160.7°	70.9°
CG	CB	H39	H40	119.5°	119.9°
CG	CD	CE	C0	180.0°	180.0°
CD	CG	CB	H39	130.8°	103.5°
CD	CG	CB	H40	109.6°	136.6°
CG	CD	CE	H44	134.4°	103.1°
CG	CD	CE	H45	105.4°	137.3°
CG	CD	C0	H55	148.3°	25.0°
CG	CD	C0	H56	28.2°	145.0°
CE	CD	CG	H41	179.0°	179.7°
CD	CE	H44	H45	120.2°	119.7°
CE	CD	C0	H55	31.6°	155.0°
CE	CD	C0	H56	151.7°	34.9°
CD	CE	N	H	80.7°	174.3°
C0	CD	CG	H41	1.0°	0.3°
C0	CD	CE	H44	45.6°	76.9°
C0	CD	CE	H45	74.6°	42.7°
CD	C0	H55	H56	120.2°	120.1°
H4	C2	C1	H15	60.4°	177.0°
H4	C2	C1	H16	61.4°	56.9°
H5	C2	C1	H15	61.1°	56.9°
H5	C2	C1	H16	177.1°	63.3°
HA	CA	CB	H39	79.1°	169.1°
HA	CA	CB	H40	40.6°	49.2°
HA	CA	C	OXT	81.3°	39.6°
HA	CA	N	H	58.5°	72.2°
H32	C4	C3	H63	78.8°	177.0°
H32	C4	C3	H64	40.9°	56.9°
H33	C4	C3	H63	42.1°	56.8°
H33	C4	C3	H64	161.8°	63.3°
H39	CB	CG	H41	49.2°	76.4°
H40	CB	CG	H41	70.5°	43.6°
H44	CE	N	H	39.3°	54.0°
H45	CE	N	H	159.5°	65.4°

Release date:	2014-07-30
Definition date:	2014-06-19
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	4TOO