SUJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.46Å	1.47Å
N	H	sing	0.99Å	1.03Å
N	H2	sing	1.00Å	1.03Å
CA	C1	sing	1.53Å	1.54Å
CA	CB	sing	1.52Å	1.53Å
CA	HA	sing	1.10Å	1.10Å
C1	O1	doub	1.23Å	1.23Å
C1	N2	sing	1.40Å	1.42Å
CB	CG	sing	1.52Å	1.53Å
CB	HBC1	sing	1.10Å	1.10Å
CB	HBC2	sing	1.10Å	1.10Å
CG	CD	sing	1.52Å	1.53Å
CG	HGC1	sing	1.10Å	1.10Å
CG	HGC2	sing	1.10Å	1.10Å
CD	OD	sing	1.43Å	1.44Å
CD	N2	sing	1.46Å	1.50Å
CD	H0	sing	1.10Å	1.12Å
OD	HD	sing	0.97Å	0.95Å
N2	C2	sing	1.46Å	1.48Å
C2	C3	sing	1.53Å	1.53Å
C2	C	sing	1.52Å	1.54Å
C2	H20	sing	1.10Å	1.10Å
C3	C4	sing	1.52Å	1.53Å
C3	O3	sing	1.43Å	1.42Å
C3	H3	sing	1.10Å	1.10Å
C4	H4C1	sing	1.10Å	1.10Å
C4	H4C2	sing	1.09Å	1.10Å
C4	H4C3	sing	1.10Å	1.10Å
O3	HB	sing	0.97Å	0.99Å
C	O	doub	1.22Å	1.23Å
C	OXT	sing	1.36Å	100.38Å
OXT	HXT	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H	109.5°	117.9°
CA	N	H2	109.5°	117.9°
N	CA	C1	109.4°	108.1°
N	CA	CB	111.4°	109.4°
N	CA	HA	108.8°	108.5°
H	N	H2	109.5°	122.7°
C1	CA	CB	111.1°	114.8°
C1	CA	HA	109.1°	106.5°
CA	C1	O1	118.8°	120.3°
CA	C1	N2	122.2°	116.3°
CB	CA	HA	106.9°	109.4°
CA	CB	CG	110.0°	109.1°
CA	CB	HBC1	109.4°	111.0°
CA	CB	HBC2	109.2°	110.2°
O1	C1	N2	119.0°	123.2°
C1	N2	CD	121.7°	123.6°
C1	N2	C2	118.0°	119.4°
CG	CB	HBC1	109.3°	110.0°
CG	CB	HBC2	109.2°	109.7°
CB	CG	CD	109.0°	109.2°
CB	CG	HGC1	109.6°	109.8°
CB	CG	HGC2	109.8°	109.3°
HBC1	CB	HBC2	109.8°	106.9°
CD	CG	HGC1	109.6°	110.3°
CD	CG	HGC2	109.8°	110.2°
CG	CD	OD	109.7°	109.7°
CG	CD	N2	111.1°	113.3°
CG	CD	H0	108.2°	109.4°
HGC1	CG	HGC2	109.1°	108.0°
OD	CD	N2	109.4°	108.2°
OD	CD	H0	110.0°	107.7°
CD	OD	HD	109.6°	106.5°
N2	CD	H0	108.5°	108.3°
CD	N2	C2	120.3°	116.0°
N2	C2	C3	109.9°	113.0°
N2	C2	C	110.0°	107.2°
N2	C2	H20	109.4°	105.7°
C3	C2	C	111.2°	111.1°
C3	C2	H20	108.2°	111.0°
C2	C3	C4	110.9°	112.8°
C2	C3	O3	109.8°	110.5°
C2	C3	H3	108.6°	109.5°
C	C2	H20	108.1°	108.5°
C2	C	O	120.7°	125.2°
C2	C	OXT	54.7°	112.0°
C4	C3	O3	110.5°	108.8°
C4	C3	H3	108.0°	108.5°
C3	C4	H4C1	109.5°	111.5°
C3	C4	H4C2	109.5°	111.3°
C3	C4	H4C3	109.5°	110.2°
O3	C3	H3	109.0°	106.6°
C3	O3	HB	109.5°	106.5°
H4C1	C4	H4C2	109.5°	108.8°
H4C1	C4	H4C3	109.4°	106.4°
H4C2	C4	H4C3	109.5°	108.6°
O	C	OXT	92.8°	122.8°
C	OXT	HXT	54.7°	115.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H	H2	120.0°	165.9°
N	CA	C1	CB	123.4°	122.4°
N	CA	C1	HA	118.9°	116.4°
N	CA	CB	HA	118.8°	118.7°
N	CA	C1	O1	41.5°	34.0°
N	CA	C1	N2	137.2°	151.0°
N	CA	CB	CG	168.6°	172.8°
N	CA	CB	HBC1	71.3°	51.4°
N	CA	CB	HBC2	48.9°	66.8°
H	N	CA	C1	161.9°	170.1°
H	N	CA	CB	74.8°	64.3°
H	N	CA	HA	42.8°	55.0°
H2	N	CA	C1	41.9°	23.3°
H2	N	CA	CB	165.2°	102.3°
H2	N	CA	HA	77.2°	138.4°
C1	CA	CB	HA	119.0°	119.6°
CA	C1	O1	N2	178.8°	174.6°
C1	CA	CB	CG	46.4°	51.1°
C1	CA	CB	HBC1	166.5°	70.3°
C1	CA	CB	HBC2	73.3°	171.5°
CA	C1	N2	CD	0.9°	18.1°
CA	C1	N2	C2	178.9°	173.7°
CB	CA	C1	O1	164.9°	156.4°
CB	CA	C1	N2	13.8°	28.6°
CA	CB	CG	HBC1	120.1°	121.9°
CA	CB	CG	HBC2	119.8°	120.7°
CA	CB	HBC1	HBC2	119.8°	120.2°
CA	CB	CG	CD	68.4°	61.7°
CA	CB	CG	HGC1	51.6°	59.3°
CA	CB	CG	HGC2	171.4°	177.6°
HA	CA	C1	O1	77.4°	82.4°
HA	CA	C1	N2	103.9°	92.6°
HA	CA	CB	CG	72.6°	68.5°
HA	CA	CB	HBC1	47.5°	170.1°
HA	CA	CB	HBC2	167.7°	51.9°
O1	C1	N2	CD	177.8°	167.1°
O1	C1	N2	C2	2.4°	1.1°
C1	N2	CD	CG	21.0°	30.0°
C1	N2	CD	OD	100.2°	92.0°
C1	N2	CD	C2	179.8°	168.6°
C1	N2	CD	H0	139.8°	151.5°
C1	N2	C2	C3	95.4°	58.4°
C1	N2	C2	C	141.8°	64.3°
C1	N2	C2	H20	23.2°	180.0°
CG	CB	HBC1	HBC2	119.7°	119.0°
CB	CG	CD	HGC1	119.9°	120.7°
CB	CG	CD	HGC2	120.2°	120.1°
CB	CG	HGC1	HGC2	120.2°	119.2°
CB	CG	CD	OD	67.5°	70.2°
CB	CG	CD	N2	53.5°	50.9°
CB	CG	CD	H0	172.5°	171.9°
HBC1	CB	CG	CD	171.5°	60.2°
HBC1	CB	CG	HGC1	68.5°	178.8°
HBC1	CB	CG	HGC2	51.3°	60.4°
HBC2	CB	CG	CD	51.4°	177.5°
HBC2	CB	CG	HGC1	171.3°	61.5°
HBC2	CB	CG	HGC2	68.8°	56.9°
CD	CG	HGC1	HGC2	120.2°	120.5°
CG	CD	OD	N2	122.0°	124.1°
CG	CD	OD	H0	118.9°	119.0°
CG	CD	N2	H0	118.9°	121.6°
CG	CD	OD	HD	180.0°	88.5°
CG	CD	N2	C2	158.8°	161.4°
HGC1	CG	CD	OD	172.5°	169.1°
HGC1	CG	CD	N2	66.4°	69.8°
HGC1	CG	CD	H0	52.6°	51.1°
HGC2	CG	CD	OD	52.7°	50.0°
HGC2	CG	CD	N2	173.7°	171.0°
HGC2	CG	CD	H0	67.3°	68.0°
OD	CD	N2	H0	120.0°	116.5°
OD	CD	N2	C2	80.0°	76.7°
N2	CD	OD	HD	58.0°	35.6°
CD	N2	C2	C3	84.4°	110.7°
CD	N2	C2	C	38.4°	126.5°
CD	N2	C2	H20	157.0°	10.9°
H0	CD	OD	HD	61.1°	152.5°
H0	CD	N2	C2	40.0°	39.8°
N2	C2	C3	C	122.1°	120.5°
N2	C2	C3	H20	119.4°	118.6°
N2	C2	C	H20	119.4°	113.8°
N2	C2	C3	C4	68.4°	178.7°
N2	C2	C3	O3	54.0°	56.6°
N2	C2	C3	H3	173.1°	60.5°
N2	C2	C	O	97.0°	66.2°
N2	C2	C	OXT	166.4°	115.9°
C3	C2	C	H20	118.6°	122.3°
C2	C3	C4	O3	122.0°	123.0°
C2	C3	C4	H3	118.9°	121.4°
C2	C3	O3	H3	118.9°	118.8°
C2	C3	C4	H4C1	87.5°	63.5°
C2	C3	C4	H4C2	152.5°	58.1°
C2	C3	C4	H4C3	32.5°	178.6°
C2	C3	O3	HB	174.5°	86.3°
C3	C2	C	O	25.1°	57.7°
C3	C2	C	OXT	44.4°	120.1°
C	C2	C3	C4	169.5°	60.8°
C	C2	C3	O3	68.1°	177.1°
C	C2	C3	H3	51.0°	60.1°
C2	C	O	OXT	49.9°	177.6°
C2	C	OXT	HXT	180.0°	177.9°
H20	C2	C3	C4	51.0°	60.0°
H20	C2	C3	O3	173.4°	62.0°
H20	C2	C3	H3	67.5°	179.1°
H20	C2	C	O	143.7°	180.0°
H20	C2	C	OXT	74.2°	2.2°
C4	C3	O3	H3	118.5°	116.8°
C3	C4	H4C1	H4C2	120.0°	123.1°
C3	C4	H4C1	H4C3	120.0°	120.2°
C3	C4	H4C2	H4C3	120.0°	121.4°
C4	C3	O3	HB	51.8°	149.3°
O3	C3	C4	H4C1	34.6°	59.4°
O3	C3	C4	H4C2	85.5°	178.9°
O3	C3	C4	H4C3	154.5°	58.5°
H3	C3	C4	H4C1	153.7°	175.0°
H3	C3	C4	H4C2	33.7°	63.4°
H3	C3	C4	H4C3	86.3°	57.1°
H3	C3	O3	HB	66.7°	32.5°
H4C1	C4	H4C2	H4C3	120.0°	115.3°
O	C	OXT	HXT	53.8°	0.1°

Definition date:	2003-07-31
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI
Derived from:	1OKX