KY4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	doub	1.21Å	1.26Å
SG1	CB1	sing	1.81Å	1.82Å
N1	CA1	sing	1.47Å	1.45Å
C3	CA3	sing	1.51Å	1.52Å
CA3	N3	sing	1.47Å	1.45Å
CA1	CB1	sing	1.53Å	1.53Å
CA1	C1	sing	1.51Å	1.53Å
N3	C1	sing	1.37Å	1.35Å
N3	C2	sing	1.35Å	1.31Å
C1	N2	doub	1.30Å	1.35Å
C2	O2	doub	1.22Å	1.19Å
C2	CA2	sing	1.47Å	1.36Å
N2	CA2	sing	1.37Å	1.32Å
CA2	CB2	doub	1.38Å	1.33Å
CB2	CG2	sing	1.46Å	1.54Å
CD2	CG2	doub	1.40Å	1.39Å	Aromatic
CD2	CE2	sing	1.38Å	1.39Å	Aromatic
CG2	CD1	sing	1.41Å	1.39Å	Aromatic
CE2	CZ	doub	1.39Å	1.39Å	Aromatic
CD1	F2	sing	1.35Å	1.37Å
CD1	CE1	doub	1.38Å	1.38Å	Aromatic
CZ	CE1	sing	1.39Å	1.38Å	Aromatic
CZ	OH	sing	1.36Å	1.40Å
CE1	F1	sing	1.35Å	1.35Å
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
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)
O3	C3	CA3	119.1°	120.0°
O3	C3	OXT	111.6°	120.0°
SG1	CB1	CA1	110.6°	109.4°
CB1	SG1	HG1	102.0°	103.0°
SG1	CB1	HB11	109.2°	109.5°
SG1	CB1	HB12	109.2°	109.5°
N1	CA1	CB1	108.9°	109.5°
N1	CA1	C1	110.8°	109.4°
CA1	N1	H	109.5°	111.0°
CA1	N1	H2	109.4°	110.9°
N1	CA1	HA1	109.8°	109.5°
C3	CA3	N3	111.6°	109.5°
C3	CA3	HA31	109.0°	109.5°
C3	CA3	HA32	109.0°	109.5°
CA3	C3	OXT	119.8°	120.0°
CA3	N3	C1	127.2°	125.8°
CA3	N3	C2	124.8°	125.8°
N3	CA3	HA31	108.9°	109.5°
N3	CA3	HA32	108.9°	109.5°
CB1	CA1	C1	109.9°	109.5°
CA1	CB1	HB11	109.2°	109.5°
CA1	CB1	HB12	109.2°	109.4°
CB1	CA1	HA1	108.8°	109.5°
CA1	C1	N3	125.1°	124.3°
CA1	C1	N2	127.3°	124.4°
C1	CA1	HA1	108.7°	109.4°
C1	N3	C2	108.0°	108.3°
N3	C1	N2	107.5°	111.3°
N3	C2	O2	125.5°	127.3°
N3	C2	CA2	108.8°	105.3°
C1	N2	CA2	108.5°	109.3°
O2	C2	CA2	125.8°	127.4°
C2	CA2	N2	107.2°	105.7°
C2	CA2	CB2	122.7°	127.1°
N2	CA2	CB2	130.1°	127.1°
CA2	CB2	CG2	127.3°	120.0°
CA2	CB2	HB2	116.3°	120.0°
CB2	CG2	CD2	121.9°	120.2°
CB2	CG2	CD1	118.9°	120.2°
CG2	CB2	HB2	116.4°	120.0°
CG2	CD2	CE2	120.3°	120.0°
CD2	CG2	CD1	119.2°	119.7°
CG2	CD2	HD2	119.9°	120.0°
CD2	CE2	CZ	120.2°	120.2°
CE2	CD2	HD2	119.9°	120.0°
CD2	CE2	HE2	119.9°	119.9°
CG2	CD1	F2	121.1°	120.1°
CG2	CD1	CE1	120.3°	119.8°
CE2	CZ	CE1	119.5°	120.3°
CE2	CZ	OH	120.8°	119.8°
CZ	CE2	HE2	119.9°	119.9°
F2	CD1	CE1	118.6°	120.1°
CD1	CE1	CZ	120.5°	120.1°
CD1	CE1	F1	119.9°	120.0°
CE1	CZ	OH	119.7°	119.9°
CZ	CE1	F1	119.5°	120.0°
CZ	OH	H1	109.5°	114.0°
H	N1	H2	109.5°	111.0°
HB11	CB1	HB12	109.5°	109.5°
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)
O3	C3	CA3	OXT	143.4°	180.0°
O3	C3	CA3	N3	175.0°	0.0°
O3	C3	CA3	HA31	64.7°	120.0°
O3	C3	CA3	HA32	54.7°	120.0°
O3	C3	OXT	HXT	0.0°	0.1°
SG1	CB1	CA1	N1	75.5°	60.0°
SG1	CB1	CA1	HB11	120.2°	120.0°
SG1	CB1	CA1	HB12	120.2°	120.0°
SG1	CB1	CA1	C1	163.0°	180.0°
SG1	CB1	HB11	HB12	119.5°	120.1°
SG1	CB1	CA1	HA1	44.1°	60.0°
N1	CA1	CB1	C1	121.5°	120.0°
N1	CA1	CB1	HA1	119.6°	120.1°
N1	CA1	C1	HA1	120.7°	120.0°
N1	CA1	C1	N3	61.3°	144.7°
N1	CA1	C1	N2	119.3°	35.0°
CA1	N1	H	H2	120.0°	123.9°
N1	CA1	CB1	HB11	164.4°	180.0°
N1	CA1	CB1	HB12	44.7°	60.0°
C3	CA3	N3	HA31	120.3°	120.0°
C3	CA3	N3	HA32	120.3°	120.0°
C3	CA3	N3	C1	123.5°	90.0°
C3	CA3	N3	C2	57.4°	90.0°
C3	CA3	HA31	HA32	119.1°	120.0°
CA3	C3	OXT	HXT	146.0°	180.0°
CA3	N3	C1	CA1	1.1°	0.1°
CA3	N3	C1	C2	179.2°	180.0°
CA3	N3	C1	N2	179.3°	179.7°
CA3	N3	C2	O2	0.2°	0.0°
CA3	N3	C2	CA2	179.7°	179.8°
N3	CA3	HA31	HA32	119.0°	120.0°
N3	CA3	C3	OXT	41.6°	180.0°
CB1	CA1	C1	HA1	118.9°	120.0°
CB1	CA1	C1	N3	178.4°	95.3°
CB1	CA1	C1	N2	1.0°	85.0°
CB1	CA1	N1	H	180.0°	60.0°
CB1	CA1	N1	H2	60.0°	64.0°
CA1	CB1	SG1	HG1	180.0°	180.0°
CA1	CB1	HB11	HB12	119.5°	120.0°
CA1	C1	N3	N2	179.5°	179.7°
CA1	C1	N3	C2	179.7°	180.0°
CA1	C1	N2	CA2	179.3°	180.0°
C1	CA1	N1	H	59.1°	60.0°
C1	CA1	N1	H2	60.9°	176.0°
C1	CA1	CB1	HB11	42.9°	60.0°
C1	CA1	CB1	HB12	76.8°	60.0°
C1	N3	C2	O2	179.4°	180.0°
C1	N3	C2	CA2	0.5°	0.2°
N3	C1	N2	CA2	0.2°	0.3°
N3	C1	CA1	HA1	59.5°	24.8°
C1	N3	CA3	HA31	3.2°	150.0°
C1	N3	CA3	HA32	116.1°	30.0°
C2	N3	C1	N2	0.2°	0.3°
N3	C2	O2	CA2	179.9°	179.8°
N3	C2	CA2	N2	0.6°	0.0°
N3	C2	CA2	CB2	178.8°	179.9°
C2	N3	CA3	HA31	177.7°	30.0°
C2	N3	CA3	HA32	62.9°	150.0°
C1	N2	CA2	C2	0.5°	0.2°
C1	N2	CA2	CB2	178.5°	180.0°
N2	C1	CA1	HA1	119.9°	155.0°
O2	C2	CA2	N2	179.3°	179.8°
O2	C2	CA2	CB2	1.1°	0.0°
C2	CA2	N2	CB2	178.0°	179.9°
C2	CA2	CB2	CG2	158.4°	173.2°
C2	CA2	CB2	HB2	21.6°	6.8°
N2	CA2	CB2	CG2	19.4°	6.9°
N2	CA2	CB2	HB2	160.6°	173.0°
CA2	CB2	CG2	HB2	180.0°	180.0°
CA2	CB2	CG2	CD2	24.6°	16.8°
CA2	CB2	CG2	CD1	155.9°	163.0°
CB2	CG2	CD2	CD1	179.5°	179.7°
CB2	CG2	CD2	CE2	179.9°	179.9°
CB2	CG2	CD1	F2	0.4°	0.0°
CB2	CG2	CD1	CE1	179.9°	180.0°
CB2	CG2	CD2	HD2	0.1°	0.1°
CG2	CD2	CE2	HD2	180.0°	179.9°
CG2	CD2	CE2	CZ	0.0°	0.1°
CD2	CG2	CD1	F2	180.0°	179.8°
CD2	CG2	CD1	CE1	0.3°	0.2°
CD2	CG2	CB2	HB2	155.4°	163.2°
CG2	CD2	CE2	HE2	180.0°	180.0°
CE2	CD2	CG2	CD1	0.4°	0.2°
CD2	CE2	CZ	HE2	180.0°	179.9°
CD2	CE2	CZ	CE1	0.3°	0.3°
CD2	CE2	CZ	OH	179.7°	180.0°
CG2	CD1	F2	CE1	179.7°	180.0°
CG2	CD1	CE1	CZ	0.0°	0.0°
CG2	CD1	CE1	F1	179.8°	180.0°
CD1	CG2	CB2	HB2	24.2°	17.0°
CD1	CG2	CD2	HD2	179.7°	179.7°
CE2	CZ	CE1	CD1	0.4°	0.3°
CE2	CZ	CE1	OH	179.3°	179.7°
CE2	CZ	CE1	F1	179.9°	179.7°
CZ	CE2	CD2	HD2	180.0°	179.9°
CE2	CZ	OH	H1	180.0°	90.0°
F2	CD1	CE1	CZ	179.6°	180.0°
F2	CD1	CE1	F1	0.1°	0.0°
CD1	CE1	CZ	F1	179.8°	180.0°
CD1	CE1	CZ	OH	179.7°	180.0°
CE1	CZ	CE2	HE2	179.7°	179.7°
CE1	CZ	OH	H1	0.7°	90.3°
OH	CZ	CE1	F1	0.5°	0.0°
OH	CZ	CE2	HE2	0.3°	0.0°
H	N1	CA1	HA1	61.0°	180.0°
H2	N1	CA1	HA1	179.0°	56.1°
HG1	SG1	CB1	HB11	59.9°	60.0°
HG1	SG1	CB1	HB12	59.8°	60.1°
HB11	CB1	CA1	HA1	76.0°	60.0°
HB12	CB1	CA1	HA1	164.3°	180.0°
HA31	CA3	C3	OXT	78.7°	60.0°
HA32	CA3	C3	OXT	161.9°	60.1°
HD2	CD2	CE2	HE2	0.0°	0.1°

Release date:	2019-06-12
Definition date:	2019-01-23
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	6NQP