KZ4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OH	CZ	sing	1.36Å	1.40Å
BR	CE1	sing	1.89Å	1.94Å
CZ	CE2	doub	1.39Å	1.39Å	Aromatic
CZ	CE1	sing	1.39Å	1.37Å	Aromatic
CE2	CD2	sing	1.38Å	1.39Å	Aromatic
CE1	CD1	doub	1.38Å	1.38Å	Aromatic
N1	CA1	sing	1.47Å	1.45Å
SG1	CB1	sing	1.81Å	1.82Å
CD2	CG2	doub	1.40Å	1.39Å	Aromatic
CD1	CG2	sing	1.40Å	1.39Å	Aromatic
CB1	CA1	sing	1.53Å	1.53Å
CG2	CB2	sing	1.46Å	1.53Å
CA1	C1	sing	1.51Å	1.52Å
N2	C1	doub	1.30Å	1.35Å
N2	CA2	sing	1.37Å	1.31Å
C1	N3	sing	1.37Å	1.34Å
CA2	CB2	doub	1.38Å	1.32Å
CA2	C2	sing	1.47Å	1.36Å
N3	C2	sing	1.35Å	1.32Å
N3	CA3	sing	1.46Å	1.46Å
C2	O2	doub	1.22Å	1.18Å
CA3	C3	sing	1.51Å	1.53Å
C3	O3	doub	1.21Å	1.26Å
N1	H	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
SG1	HG1	sing	1.34Å	1.30Å
CB1	HB11	sing	1.09Å	1.10Å
CB1	HB12	sing	1.09Å	1.10Å
CA1	HA1	sing	1.09Å	1.10Å
CA3	HA31	sing	1.09Å	1.10Å
CA3	HA32	sing	1.09Å	1.10Å
CB2	HB2	sing	1.08Å	1.08Å
CD1	HD1	sing	1.08Å	1.08Å
CD2	HD2	sing	1.08Å	1.08Å
CE2	HE2	sing	1.08Å	1.08Å
OH	H1	sing	0.97Å	0.95Å
C3	OXT	sing	1.34Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OH	CZ	CE2	122.3°	119.9°
OH	CZ	CE1	117.7°	119.9°
CZ	OH	H1	109.5°	114.0°
BR	CE1	CZ	117.4°	119.9°
BR	CE1	CD1	121.8°	119.9°
CE2	CZ	CE1	120.0°	120.3°
CZ	CE2	CD2	119.5°	120.1°
CZ	CE2	HE2	120.2°	119.9°
CZ	CE1	CD1	120.8°	120.1°
CE2	CD2	CG2	120.4°	119.9°
CE2	CD2	HD2	119.8°	120.0°
CD2	CE2	HE2	120.2°	120.0°
CE1	CD1	CG2	119.7°	119.8°
CE1	CD1	HD1	120.2°	120.1°
N1	CA1	CB1	110.4°	109.5°
N1	CA1	C1	108.6°	109.5°
CA1	N1	H	109.5°	111.0°
CA1	N1	H2	109.5°	111.0°
N1	CA1	HA1	109.9°	109.4°
SG1	CB1	CA1	109.2°	109.5°
CB1	SG1	HG1	102.0°	103.0°
SG1	CB1	HB11	109.5°	109.5°
SG1	CB1	HB12	109.5°	109.5°
CD2	CG2	CD1	119.5°	119.8°
CD2	CG2	CB2	122.5°	120.1°
CG2	CD2	HD2	119.8°	120.1°
CD1	CG2	CB2	118.0°	120.1°
CG2	CD1	HD1	120.1°	120.1°
CB1	CA1	C1	110.0°	109.5°
CA1	CB1	HB11	109.5°	109.5°
CA1	CB1	HB12	109.6°	109.5°
CB1	CA1	HA1	108.9°	109.5°
CG2	CB2	CA2	127.3°	120.0°
CG2	CB2	HB2	116.4°	120.0°
CA1	C1	N2	126.5°	124.3°
CA1	C1	N3	124.8°	124.4°
C1	CA1	HA1	109.0°	109.5°
C1	N2	CA2	107.5°	109.3°
N2	C1	N3	108.6°	111.3°
N2	CA2	CB2	129.1°	127.1°
N2	CA2	C2	108.1°	105.7°
C1	N3	C2	107.3°	108.4°
C1	N3	CA3	125.5°	125.8°
CB2	CA2	C2	122.8°	127.2°
CA2	CB2	HB2	116.3°	120.0°
CA2	C2	N3	108.5°	105.3°
CA2	C2	O2	124.7°	127.3°
C2	N3	CA3	127.2°	125.8°
N3	C2	O2	126.8°	127.4°
N3	CA3	C3	113.3°	109.4°
N3	CA3	HA31	108.5°	109.5°
N3	CA3	HA32	108.5°	109.5°
CA3	C3	O3	119.4°	120.0°
C3	CA3	HA31	108.5°	109.5°
C3	CA3	HA32	108.5°	109.5°
CA3	C3	OXT	116.1°	120.0°
O3	C3	OXT	120.3°	120.0°
H	N1	H2	109.4°	111.0°
HB11	CB1	HB12	109.5°	109.4°
HA31	CA3	HA32	109.5°	109.5°
C3	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OH	CZ	CE1	BR	0.4°	0.0°
OH	CZ	CE2	CE1	179.9°	179.8°
OH	CZ	CE2	CD2	179.5°	180.0°
OH	CZ	CE1	CD1	179.5°	180.0°
OH	CZ	CE2	HE2	0.6°	0.0°
BR	CE1	CZ	CE2	179.8°	179.7°
BR	CE1	CZ	CD1	179.8°	180.0°
BR	CE1	CD1	CG2	179.2°	180.0°
BR	CE1	CD1	HD1	0.8°	0.1°
CZ	CE2	CD2	HE2	180.0°	180.0°
CE2	CZ	CE1	CD1	0.4°	0.3°
CZ	CE2	CD2	CG2	1.0°	0.0°
CZ	CE2	CD2	HD2	179.0°	180.0°
CE2	CZ	OH	H1	180.0°	89.9°
CE1	CZ	CE2	CD2	0.4°	0.3°
CZ	CE1	CD1	CG2	1.0°	0.0°
CZ	CE1	CD1	HD1	179.0°	180.0°
CE1	CZ	CE2	HE2	179.6°	179.8°
CE1	CZ	OH	H1	0.1°	90.3°
CE2	CD2	CG2	HD2	180.0°	180.0°
CE2	CD2	CG2	CD1	1.6°	0.2°
CE2	CD2	CG2	CB2	179.0°	179.9°
CE1	CD1	CG2	CD2	1.6°	0.2°
CE1	CD1	CG2	HD1	180.0°	179.9°
CE1	CD1	CG2	CB2	179.1°	179.9°
N1	CA1	CB1	SG1	66.0°	60.0°
N1	CA1	CB1	C1	119.8°	120.1°
N1	CA1	CB1	HA1	120.7°	119.9°
N1	CA1	C1	HA1	119.7°	119.9°
N1	CA1	C1	N2	109.8°	34.8°
N1	CA1	C1	N3	70.4°	145.0°
CA1	N1	H	H2	120.0°	123.9°
N1	CA1	CB1	HB11	174.1°	180.0°
N1	CA1	CB1	HB12	54.0°	60.1°
SG1	CB1	CA1	HB11	120.0°	120.0°
SG1	CB1	CA1	HB12	120.0°	120.0°
SG1	CB1	CA1	C1	174.2°	180.0°
SG1	CB1	HB11	HB12	120.1°	120.0°
SG1	CB1	CA1	HA1	54.8°	60.0°
CD2	CG2	CD1	CB2	177.5°	179.7°
CD2	CG2	CB2	CA2	35.5°	174.3°
CD2	CG2	CB2	HB2	144.5°	5.7°
CD2	CG2	CD1	HD1	178.4°	179.7°
CG2	CD2	CE2	HE2	179.0°	180.0°
CD1	CG2	CB2	CA2	147.1°	6.0°
CD1	CG2	CB2	HB2	32.9°	174.0°
CD1	CG2	CD2	HD2	178.4°	179.8°
CB1	CA1	C1	HA1	119.4°	120.0°
CB1	CA1	C1	N2	11.1°	85.3°
CB1	CA1	C1	N3	168.7°	94.9°
CB1	CA1	N1	H	180.0°	176.0°
CB1	CA1	N1	H2	60.0°	60.1°
CA1	CB1	SG1	HG1	180.0°	180.0°
CA1	CB1	HB11	HB12	120.1°	120.0°
CG2	CB2	CA2	N2	17.5°	5.2°
CG2	CB2	CA2	HB2	180.0°	180.0°
CG2	CB2	CA2	C2	163.0°	175.0°
CB2	CG2	CD1	HD1	0.9°	0.0°
CB2	CG2	CD2	HD2	1.0°	0.1°
CA1	C1	N2	N3	179.8°	179.8°
CA1	C1	N2	CA2	179.9°	180.0°
CA1	C1	N3	C2	180.0°	180.0°
CA1	C1	N3	CA3	1.3°	0.1°
C1	CA1	N1	H	59.3°	63.9°
C1	CA1	N1	H2	60.7°	60.0°
C1	CA1	CB1	HB11	54.2°	60.0°
C1	CA1	CB1	HB12	65.8°	60.0°
C1	N2	CA2	CB2	179.8°	180.0°
C1	N2	CA2	C2	0.2°	0.1°
N2	C1	N3	C2	0.2°	0.2°
N2	C1	N3	CA3	178.8°	179.7°
N2	C1	CA1	HA1	130.5°	154.7°
CA2	N2	C1	N3	0.3°	0.2°
N2	CA2	CB2	C2	179.5°	179.9°
N2	CA2	C2	N3	0.1°	0.0°
N2	CA2	C2	O2	180.0°	179.9°
N2	CA2	CB2	HB2	162.5°	174.9°
C1	N3	C2	CA2	0.1°	0.1°
C1	N3	C2	CA3	178.6°	179.9°
C1	N3	C2	O2	179.8°	180.0°
C1	N3	CA3	C3	128.5°	90.0°
N3	C1	CA1	HA1	49.3°	25.1°
C1	N3	CA3	HA31	110.9°	150.0°
C1	N3	CA3	HA32	8.0°	30.0°
CB2	CA2	C2	N3	179.7°	179.9°
CB2	CA2	C2	O2	0.4°	0.0°
CA2	C2	N3	O2	179.9°	179.9°
CA2	C2	N3	CA3	178.7°	179.8°
C2	CA2	CB2	HB2	17.0°	5.0°
C2	N3	CA3	C3	53.1°	90.0°
C2	N3	CA3	HA31	67.5°	29.9°
C2	N3	CA3	HA32	173.6°	150.0°
CA3	N3	C2	O2	1.2°	0.1°
N3	CA3	C3	HA31	120.6°	120.0°
N3	CA3	C3	HA32	120.6°	120.0°
N3	CA3	C3	O3	156.6°	0.0°
N3	CA3	HA31	HA32	118.2°	120.0°
N3	CA3	C3	OXT	46.5°	180.0°
CA3	C3	O3	OXT	155.9°	179.9°
C3	CA3	HA31	HA32	118.2°	120.0°
CA3	C3	OXT	HXT	156.7°	180.0°
O3	C3	CA3	HA31	36.0°	119.9°
O3	C3	CA3	HA32	82.9°	120.1°
O3	C3	OXT	HXT	0.0°	0.0°
H	N1	CA1	HA1	59.9°	56.1°
H2	N1	CA1	HA1	179.8°	180.0°
HG1	SG1	CB1	HB11	60.0°	60.0°
HG1	SG1	CB1	HB12	60.0°	60.0°
HB11	CB1	CA1	HA1	65.2°	60.0°
HB12	CB1	CA1	HA1	174.7°	NaN°
HA31	CA3	C3	OXT	167.1°	60.0°
HA32	CA3	C3	OXT	74.1°	60.0°
HD2	CD2	CE2	HE2	1.1°	0.0°

Release date:	2019-06-12
Definition date:	2019-01-25
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	6NQN