OZW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.19Å
N	CA	sing	1.47Å	1.45Å
CD1	CE1	doub	1.38Å	1.37Å	Aromatic
CD1	CG	sing	1.38Å	1.38Å	Aromatic
C	CA	sing	1.51Å	1.53Å
CB	CA	sing	1.53Å	1.52Å
CB	CG	sing	1.51Å	1.51Å
CE1	CZ	sing	1.39Å	1.38Å	Aromatic
CG	CD2	doub	1.38Å	1.37Å	Aromatic
CZ	N2	sing	1.40Å	1.44Å
CZ	CE2	doub	1.39Å	1.39Å	Aromatic
CD2	CE2	sing	1.38Å	1.38Å	Aromatic
N2	N1	sing	1.40Å	1.41Å
C2	C4	doub	1.38Å	1.38Å	Aromatic
C2	C6	sing	1.39Å	1.38Å	Aromatic
N1	C6	sing	1.40Å	1.45Å
C4	C5	sing	1.38Å	1.38Å	Aromatic
C6	C1	doub	1.39Å	1.39Å	Aromatic
C5	C3	doub	1.38Å	1.39Å	Aromatic
C1	C3	sing	1.38Å	1.39Å	Aromatic
C4	H41	sing	1.08Å	1.08Å
C5	H51	sing	1.08Å	1.08Å
C1	H11	sing	1.08Å	1.08Å
C2	H21	sing	1.08Å	1.08Å
C3	H31	sing	1.08Å	1.08Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	HA	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
CD1	HD11	sing	1.08Å	1.08Å
CD2	HD21	sing	1.08Å	1.08Å
CE1	HE11	sing	1.08Å	1.08Å
CE2	HE21	sing	1.08Å	1.08Å
N1	H12	sing	0.97Å	1.00Å
N2	H22	sing	0.97Å	1.00Å
C	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)
O	C	CA	120.2°	120.0°
O	C	OXT	123.0°	120.0°
N	CA	C	111.7°	109.5°
N	CA	CB	111.9°	109.5°
CA	N	H	109.5°	110.9°
CA	N	H2	109.5°	111.0°
N	CA	HA	109.2°	109.4°
CE1	CD1	CG	119.9°	120.1°
CD1	CE1	CZ	119.2°	119.9°
CE1	CD1	HD11	120.0°	119.9°
CD1	CE1	HE11	120.4°	120.1°
CD1	CG	CB	118.8°	120.0°
CD1	CG	CD2	121.3°	120.1°
CG	CD1	HD11	120.1°	120.0°
C	CA	CB	107.4°	109.5°
C	CA	HA	108.2°	109.5°
CA	C	OXT	116.8°	120.0°
CA	CB	CG	110.9°	109.5°
CB	CA	HA	108.3°	109.5°
CA	CB	HB2	109.1°	109.5°
CA	CB	HB3	109.1°	109.5°
CB	CG	CD2	119.8°	119.9°
CG	CB	HB2	109.1°	109.5°
CG	CB	HB3	109.1°	109.4°
CE1	CZ	N2	121.0°	120.1°
CE1	CZ	CE2	120.8°	119.9°
CZ	CE1	HE11	120.4°	120.0°
CG	CD2	CE2	119.0°	120.1°
CG	CD2	HD21	120.5°	120.0°
N2	CZ	CE2	118.2°	120.1°
CZ	N2	N1	117.0°	120.0°
CZ	N2	H22	107.5°	120.0°
CZ	CE2	CD2	119.7°	119.9°
CZ	CE2	HE21	120.2°	120.0°
CE2	CD2	HD21	120.5°	119.9°
CD2	CE2	HE21	120.1°	120.1°
N2	N1	C6	118.6°	120.0°
N2	N1	H12	107.1°	120.0°
N1	N2	H22	107.6°	119.9°
C4	C2	C6	120.0°	120.0°
C2	C4	C5	120.3°	120.1°
C2	C4	H41	119.8°	120.0°
C4	C2	H21	120.0°	120.1°
C2	C6	N1	119.0°	120.1°
C2	C6	C1	120.5°	119.8°
C6	C2	H21	120.0°	120.0°
N1	C6	C1	120.6°	120.1°
C6	N1	H12	107.1°	120.0°
C4	C5	C3	119.5°	120.2°
C5	C4	H41	119.9°	120.0°
C4	C5	H51	120.2°	120.0°
C6	C1	C3	119.3°	119.9°
C6	C1	H11	120.4°	120.1°
C5	C3	C1	120.4°	120.1°
C3	C5	H51	120.2°	119.9°
C5	C3	H31	119.8°	119.9°
C3	C1	H11	120.4°	120.1°
C1	C3	H31	119.8°	120.0°
H	N	H2	109.4°	111.0°
HB2	CB	HB3	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)
O	C	CA	N	55.9°	20.0°
O	C	CA	OXT	179.1°	180.0°
O	C	CA	CB	67.1°	100.0°
O	C	CA	HA	176.1°	140.0°
O	C	OXT	HXT	0.0°	0.0°
N	CA	C	CB	123.0°	120.0°
N	CA	C	HA	120.3°	119.9°
N	CA	CB	HA	120.4°	119.9°
N	CA	CB	CG	67.5°	65.0°
CA	N	H	H2	120.0°	124.0°
N	CA	CB	HB2	52.7°	55.0°
N	CA	CB	HB3	172.3°	175.0°
N	CA	C	OXT	125.1°	160.0°
CE1	CD1	CG	HD11	180.0°	179.9°
CE1	CD1	CG	CB	179.2°	180.0°
CD1	CE1	CZ	HE11	180.0°	179.9°
CE1	CD1	CG	CD2	0.3°	0.3°
CD1	CE1	CZ	N2	179.6°	180.0°
CD1	CE1	CZ	CE2	0.6°	0.2°
CD1	CG	CB	CA	100.2°	89.7°
CD1	CG	CB	CD2	179.5°	179.7°
CG	CD1	CE1	CZ	0.8°	0.1°
CD1	CG	CD2	CE2	0.5°	0.3°
CD1	CG	CB	HB2	20.0°	150.3°
CD1	CG	CB	HB3	139.7°	30.3°
CD1	CG	CD2	HD21	179.5°	179.7°
CG	CD1	CE1	HE11	179.2°	180.0°
C	CA	CB	HA	116.6°	120.0°
C	CA	CB	CG	169.6°	175.0°
C	CA	N	H	180.0°	60.0°
C	CA	N	H2	60.0°	176.1°
C	CA	CB	HB2	70.2°	65.0°
C	CA	CB	HB3	49.4°	55.0°
CA	C	OXT	HXT	179.0°	180.0°
CA	CB	CG	HB2	120.2°	120.0°
CA	CB	CG	HB3	120.2°	120.0°
CA	CB	CG	CD2	79.3°	90.0°
CB	CA	N	H	59.6°	60.0°
CB	CA	N	H2	179.6°	63.9°
CA	CB	HB2	HB3	119.4°	120.0°
CB	CA	C	OXT	111.9°	80.0°
CB	CG	CD2	CE2	180.0°	180.0°
CG	CB	CA	HA	53.0°	54.9°
CG	CB	HB2	HB3	119.4°	119.9°
CB	CG	CD1	HD11	0.8°	0.1°
CB	CG	CD2	HD21	0.1°	0.0°
CE1	CZ	N2	CE2	179.8°	179.7°
CE1	CZ	CE2	CD2	0.2°	0.3°
CE1	CZ	N2	N1	178.9°	180.0°
CZ	CE1	CD1	HD11	179.2°	180.0°
CE1	CZ	CE2	HE21	179.8°	179.7°
CE1	CZ	N2	H22	60.0°	0.1°
CG	CD2	CE2	CZ	0.7°	0.0°
CG	CD2	CE2	HD21	180.0°	180.0°
CD2	CG	CB	HB2	160.5°	30.0°
CD2	CG	CB	HB3	40.9°	150.0°
CD2	CG	CD1	HD11	179.7°	179.8°
CG	CD2	CE2	HE21	179.3°	179.9°
N2	CZ	CE2	CD2	179.6°	180.0°
CZ	N2	N1	H22	121.1°	180.0°
CZ	N2	N1	C6	141.8°	180.0°
N2	CZ	CE1	HE11	0.4°	0.0°
N2	CZ	CE2	HE21	0.3°	0.1°
CZ	N2	N1	H12	20.5°	0.0°
CZ	CE2	CD2	HE21	180.0°	179.9°
CE2	CZ	N2	N1	1.3°	0.3°
CZ	CE2	CD2	HD21	179.3°	180.0°
CE2	CZ	CE1	HE11	179.4°	179.7°
CE2	CZ	N2	H22	119.8°	179.7°
N2	N1	C6	C2	39.8°	0.8°
N2	N1	C6	H12	121.3°	179.9°
N2	N1	C6	C1	140.6°	180.0°
C4	C2	C6	H21	180.0°	179.9°
C4	C2	C6	N1	179.8°	179.7°
C2	C4	C5	H41	180.0°	179.7°
C4	C2	C6	C1	0.1°	0.5°
C2	C4	C5	C3	1.1°	0.3°
C2	C4	C5	H51	178.9°	179.7°
C2	C6	N1	C1	179.6°	179.1°
C6	C2	C4	C5	0.7°	0.0°
C2	C6	C1	C3	0.6°	0.8°
C6	C2	C4	H41	179.3°	179.7°
C2	C6	C1	H11	179.5°	180.0°
C2	C6	N1	H12	81.5°	179.2°
N1	C6	C1	C3	179.8°	180.0°
N1	C6	C1	H11	0.2°	0.9°
N1	C6	C2	H21	0.2°	0.4°
C6	N1	N2	H22	97.1°	0.0°
C4	C5	C3	H51	180.0°	180.0°
C4	C5	C3	C1	0.7°	0.0°
C5	C4	C2	H21	179.3°	179.9°
C4	C5	C3	H31	179.3°	180.0°
C6	C1	C3	C5	0.1°	0.5°
C6	C1	C3	H11	180.0°	179.2°
C1	C6	C2	H21	179.8°	179.5°
C6	C1	C3	H31	179.8°	179.4°
C1	C6	N1	H12	98.1°	0.1°
C5	C3	C1	H31	180.0°	180.0°
C3	C5	C4	H41	178.9°	180.0°
C5	C3	C1	H11	179.9°	179.7°
C1	C3	C5	H51	179.3°	180.0°
H41	C4	C5	H51	1.1°	0.0°
H41	C4	C2	H21	0.7°	0.2°
H51	C5	C3	H31	0.7°	0.0°
H11	C1	C3	H31	0.1°	0.3°
H	N	CA	HA	60.3°	180.0°
H2	N	CA	HA	59.7°	56.1°
HA	CA	CB	HB2	173.2°	175.0°
HA	CA	CB	HB3	67.2°	65.0°
HA	CA	C	OXT	4.8°	40.0°
HD11	CD1	CE1	HE11	0.8°	0.1°
HD21	CD2	CE2	HE21	0.7°	0.0°
H12	N1	N2	H22	141.6°	179.9°

Release date:	2020-07-22
Definition date:	2020-04-13
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBE
Derived from:	6YMU