OHD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	doub	1.22Å	1.20Å
O3	C3	doub	1.21Å	1.23Å
C3	CA3	sing	1.51Å	1.51Å
C2	CA2	sing	1.47Å	1.36Å
C2	N3	sing	1.35Å	1.32Å
CL	CE2	sing	1.74Å	1.78Å
CB2	CA2	doub	1.38Å	1.33Å
CB2	CG2	sing	1.46Å	1.54Å
CD2	CE2	doub	1.38Å	1.38Å	Aromatic
CD2	CG2	sing	1.40Å	1.37Å	Aromatic
CA3	N3	sing	1.46Å	1.46Å
CA2	N2	sing	1.37Å	1.32Å
N3	C1	sing	1.37Å	1.34Å
CE2	CZ	sing	1.39Å	1.38Å	Aromatic
CG2	CD1	doub	1.40Å	1.38Å	Aromatic
N2	C1	doub	1.30Å	1.36Å
C1	CA1	sing	1.51Å	1.52Å
CZ	OH	sing	1.36Å	1.42Å
CZ	CE1	doub	1.39Å	1.39Å	Aromatic
CD1	CE1	sing	1.38Å	1.37Å	Aromatic
CA1	N1	sing	1.47Å	1.47Å
CA1	CB1	sing	1.53Å	1.50Å
C3	OXT	sing	1.34Å	1.37Å
N1	H2	sing	1.01Å	1.00Å
N1	H	sing	1.01Å	1.00Å
CA1	HA1	sing	1.09Å	1.10Å
CB1	H5	sing	1.09Å	1.10Å
CB1	H6	sing	1.09Å	1.10Å
CB1	H7	sing	1.09Å	1.10Å
CA3	HA31	sing	1.09Å	1.10Å
CA3	HA32	sing	1.09Å	1.10Å
CB2	H11	sing	1.08Å	1.08Å
CD1	H13	sing	1.08Å	1.08Å
CD2	H14	sing	1.08Å	1.08Å
CE1	H15	sing	1.08Å	1.08Å
OH	H16	sing	0.97Å	0.95Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C2	CA2	126.4°	127.4°
O2	C2	N3	125.2°	127.3°
O3	C3	CA3	120.4°	120.0°
O3	C3	OXT	118.8°	120.0°
C3	CA3	N3	111.7°	109.4°
CA3	C3	OXT	114.4°	120.0°
C3	CA3	HA31	108.9°	109.5°
C3	CA3	HA32	108.9°	109.5°
CA2	C2	N3	108.4°	105.3°
C2	CA2	CB2	124.1°	127.1°
C2	CA2	N2	108.4°	105.7°
C2	N3	CA3	126.1°	125.8°
C2	N3	C1	107.4°	108.3°
CL	CE2	CD2	119.5°	119.9°
CL	CE2	CZ	120.2°	119.9°
CA2	CB2	CG2	126.6°	120.0°
CB2	CA2	N2	127.5°	127.2°
CA2	CB2	H11	116.7°	120.0°
CB2	CG2	CD2	117.2°	120.2°
CB2	CG2	CD1	123.2°	120.1°
CG2	CB2	H11	116.7°	120.0°
CE2	CD2	CG2	120.1°	119.9°
CD2	CE2	CZ	120.4°	120.2°
CE2	CD2	H14	119.9°	120.1°
CD2	CG2	CD1	119.6°	119.7°
CG2	CD2	H14	120.0°	120.1°
CA3	N3	C1	126.5°	125.8°
N3	CA3	HA31	108.9°	109.5°
N3	CA3	HA32	108.9°	109.5°
CA2	N2	C1	106.9°	109.4°
N3	C1	N2	108.9°	111.3°
N3	C1	CA1	125.4°	124.3°
CE2	CZ	OH	119.2°	119.9°
CE2	CZ	CE1	119.5°	120.2°
CG2	CD1	CE1	120.7°	119.9°
CG2	CD1	H13	119.7°	120.1°
N2	C1	CA1	125.6°	124.4°
C1	CA1	N1	107.4°	109.5°
C1	CA1	CB1	113.5°	109.5°
C1	CA1	HA1	108.4°	109.5°
OH	CZ	CE1	121.3°	119.9°
CZ	OH	H16	109.5°	114.0°
CZ	CE1	CD1	119.7°	120.1°
CZ	CE1	H15	120.1°	119.9°
CE1	CD1	H13	119.6°	120.0°
CD1	CE1	H15	120.2°	120.0°
N1	CA1	CB1	109.8°	109.5°
CA1	N1	H2	109.5°	111.0°
CA1	N1	H	109.5°	110.9°
N1	CA1	HA1	109.0°	109.4°
CB1	CA1	HA1	108.6°	109.5°
CA1	CB1	H5	109.5°	109.5°
CA1	CB1	H6	109.5°	109.4°
CA1	CB1	H7	109.5°	109.5°
C3	OXT	HXT	109.5°	117.0°
H2	N1	H	109.5°	111.0°
H5	CB1	H6	109.5°	109.5°
H5	CB1	H7	109.4°	109.5°
H6	CB1	H7	109.5°	109.5°
HA31	CA3	HA32	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	CA2	N3	179.2°	180.0°
O2	C2	CA2	CB2	1.2°	0.0°
O2	C2	N3	CA3	3.2°	0.2°
O2	C2	CA2	N2	179.1°	179.9°
O2	C2	N3	C1	179.3°	179.8°
O3	C3	CA3	OXT	151.6°	180.0°
O3	C3	CA3	N3	162.0°	0.0°
O3	C3	CA3	HA31	77.7°	120.0°
O3	C3	CA3	HA32	41.7°	120.0°
O3	C3	OXT	HXT	0.0°	0.1°
C3	CA3	N3	C2	76.9°	90.0°
C3	CA3	N3	HA31	120.3°	120.0°
C3	CA3	N3	HA32	120.3°	120.0°
C3	CA3	N3	C1	106.2°	90.0°
C3	CA3	HA31	HA32	119.0°	120.0°
CA3	C3	OXT	HXT	152.0°	180.0°
C2	CA2	CB2	N2	177.5°	179.9°
C2	CA2	CB2	CG2	166.0°	174.8°
CA2	C2	N3	CA3	177.5°	179.8°
CA2	C2	N3	C1	0.1°	0.2°
C2	CA2	N2	C1	2.5°	0.1°
C2	CA2	CB2	H11	14.1°	5.3°
N3	C2	CA2	CB2	179.6°	180.0°
C2	N3	CA3	C1	177.0°	180.0°
N3	C2	CA2	N2	1.7°	0.0°
C2	N3	C1	N2	1.5°	0.3°
C2	N3	C1	CA1	177.6°	180.0°
C2	N3	CA3	HA31	162.8°	30.0°
C2	N3	CA3	HA32	43.5°	150.0°
CL	CE2	CD2	CZ	179.6°	179.9°
CL	CE2	CD2	CG2	179.7°	180.0°
CL	CE2	CZ	OH	1.9°	0.1°
CL	CE2	CZ	CE1	179.9°	179.7°
CL	CE2	CD2	H14	0.3°	0.0°
CA2	CB2	CG2	H11	180.0°	180.0°
CA2	CB2	CG2	CD2	167.1°	5.7°
CA2	CB2	CG2	CD1	12.9°	174.1°
CB2	CA2	N2	C1	179.7°	179.8°
CB2	CG2	CD2	CE2	179.2°	180.0°
CB2	CG2	CD2	CD1	180.0°	179.7°
CG2	CB2	CA2	N2	11.5°	5.1°
CB2	CG2	CD1	CE1	179.3°	180.0°
CB2	CG2	CD1	H13	0.7°	0.0°
CB2	CG2	CD2	H14	0.8°	0.0°
CE2	CD2	CG2	H14	180.0°	180.0°
CE2	CD2	CG2	CD1	0.8°	0.3°
CD2	CE2	CZ	OH	177.8°	180.0°
CD2	CE2	CZ	CE1	0.4°	0.2°
CG2	CD2	CE2	CZ	0.6°	0.0°
CD2	CG2	CD1	CE1	0.7°	0.3°
CD2	CG2	CB2	H11	13.0°	174.3°
CD2	CG2	CD1	H13	179.3°	179.7°
CA3	N3	C1	N2	175.9°	179.7°
CA3	N3	C1	CA1	0.1°	0.0°
N3	CA3	C3	OXT	46.5°	180.0°
N3	CA3	HA31	HA32	119.0°	120.0°
CA2	N2	C1	N3	2.5°	0.2°
CA2	N2	C1	CA1	178.6°	179.9°
N2	CA2	CB2	H11	168.5°	174.8°
N3	C1	N2	CA1	176.0°	179.7°
N3	C1	CA1	N1	68.6°	144.7°
N3	C1	CA1	CB1	169.8°	95.3°
N3	C1	CA1	HA1	49.0°	24.7°
C1	N3	CA3	HA31	14.2°	150.0°
C1	N3	CA3	HA32	133.5°	30.0°
CE2	CZ	OH	CE1	178.2°	179.8°
CE2	CZ	CE1	CD1	0.3°	0.2°
CZ	CE2	CD2	H14	179.4°	179.9°
CE2	CZ	CE1	H15	179.7°	179.7°
CE2	CZ	OH	H16	180.0°	89.9°
CG2	CD1	CE1	CZ	0.5°	0.0°
CG2	CD1	CE1	H13	180.0°	180.0°
CD1	CG2	CB2	H11	167.1°	6.0°
CD1	CG2	CD2	H14	179.2°	179.7°
CG2	CD1	CE1	H15	179.5°	180.0°
N2	C1	CA1	N1	106.8°	35.0°
N2	C1	CA1	CB1	14.8°	85.0°
N2	C1	CA1	HA1	135.6°	155.0°
C1	CA1	N1	CB1	123.9°	120.0°
C1	CA1	N1	HA1	117.2°	120.0°
C1	CA1	CB1	HA1	120.7°	120.0°
C1	CA1	N1	H2	180.0°	63.9°
C1	CA1	N1	H	60.0°	60.0°
C1	CA1	CB1	H5	180.0°	60.0°
C1	CA1	CB1	H6	60.0°	60.0°
C1	CA1	CB1	H7	60.0°	180.0°
OH	CZ	CE1	CD1	177.8°	180.0°
OH	CZ	CE1	H15	2.2°	0.1°
CZ	CE1	CD1	H15	180.0°	179.9°
CZ	CE1	CD1	H13	179.5°	180.0°
CE1	CZ	OH	H16	1.8°	90.3°
N1	CA1	CB1	HA1	119.1°	119.9°
CA1	N1	H2	H	120.0°	123.9°
N1	CA1	CB1	H5	59.8°	60.1°
N1	CA1	CB1	H6	60.2°	180.0°
N1	CA1	CB1	H7	179.8°	60.0°
CB1	CA1	N1	H2	56.1°	176.1°
CB1	CA1	N1	H	176.1°	60.1°
CA1	CB1	H5	H6	120.0°	119.9°
CA1	CB1	H5	H7	120.0°	120.0°
CA1	CB1	H6	H7	120.0°	120.0°
OXT	C3	CA3	HA31	73.9°	60.0°
OXT	C3	CA3	HA32	166.8°	60.0°
H2	N1	CA1	HA1	62.8°	56.1°
H	N1	CA1	HA1	57.2°	180.0°
HA1	CA1	CB1	H5	59.3°	180.0°
HA1	CA1	CB1	H6	179.3°	60.0°
HA1	CA1	CB1	H7	60.7°	60.0°
H5	CB1	H6	H7	119.9°	120.0°
H13	CD1	CE1	H15	0.5°	0.0°

Release date:	2019-08-07
Definition date:	2019-06-25
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	6PFR