HBN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.36Å	1.41Å	Aromatic
C1	C8A	sing	1.41Å	1.42Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.39Å	1.42Å	Aromatic
C2	HC2	sing	1.08Å	1.10Å
C3	C4	doub	1.36Å	1.43Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C4A	sing	1.40Å	1.42Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C4A	C8A	sing	1.42Å	1.47Å	Aromatic
C4A	C5	doub	1.41Å	1.43Å	Aromatic
C8A	C8	doub	1.40Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.42Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C7	C6	doub	1.40Å	1.43Å	Aromatic
C7	N1	sing	1.40Å	1.28Å
C6	C5	sing	1.36Å	1.43Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C5	H5	sing	1.08Å	1.10Å
N1	C	sing	1.35Å	1.45Å
N1	HN1	sing	0.97Å	1.02Å
N	CA	sing	1.47Å	1.45Å
N	H	sing	1.01Å	1.02Å
N	H2	sing	1.01Å	1.02Å
CA	C	sing	1.51Å	1.52Å
CA	CB	sing	1.53Å	1.34Å
CA	HA	sing	1.09Å	1.12Å
C	O	doub	1.21Å	1.21Å
CB	CG	sing	1.51Å	1.49Å
CB	HB2	sing	1.09Å	1.12Å
CB	HB3	sing	1.09Å	1.11Å
CG	ND1	sing	1.37Å	1.38Å	Aromatic
CG	CD2	doub	1.35Å	1.39Å	Aromatic
ND1	CE1	sing	1.35Å	1.35Å	Aromatic
ND1	HD1	sing	0.97Å	1.02Å
CD2	NE2	sing	1.34Å	1.38Å	Aromatic
CD2	HD2	sing	1.08Å	1.10Å
CE1	NE2	doub	1.30Å	1.37Å	Aromatic
CE1	HE1	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C8A	120.1°	119.6°
C2	C1	H1	119.7°	120.2°
C1	C2	C3	120.4°	121.0°
C1	C2	HC2	119.4°	119.5°
C8A	C1	H1	120.3°	120.2°
C1	C8A	C4A	120.1°	119.4°
C1	C8A	C8	121.0°	121.2°
C3	C2	HC2	120.2°	119.5°
C2	C3	C4	120.8°	121.0°
C2	C3	H3	119.5°	119.5°
C4	C3	H3	119.7°	119.5°
C3	C4	C4A	120.1°	119.7°
C3	C4	H4	120.1°	120.2°
C4A	C4	H4	119.8°	120.2°
C4	C4A	C8A	118.6°	119.3°
C4	C4A	C5	122.2°	121.1°
C8A	C4A	C5	119.2°	119.5°
C4A	C8A	C8	118.9°	119.4°
C4A	C5	C6	120.1°	119.9°
C4A	C5	H5	120.1°	120.0°
C8A	C8	C7	122.2°	119.5°
C8A	C8	H8	117.7°	120.2°
C7	C8	H8	120.1°	120.2°
C8	C7	C6	119.4°	120.6°
C8	C7	N1	119.6°	119.7°
C6	C7	N1	121.0°	119.7°
C7	C6	C5	120.1°	120.9°
C7	C6	H6	120.0°	119.5°
C7	N1	C	138.1°	120.0°
C7	N1	HN1	101.7°	119.9°
C5	C6	H6	119.8°	119.5°
C6	C5	H5	119.8°	120.1°
C	N1	HN1	120.2°	120.1°
N1	C	CA	112.2°	119.9°
N1	C	O	126.4°	120.0°
CA	N	H	123.1°	106.7°
CA	N	H2	107.3°	106.7°
N	CA	C	123.1°	109.4°
N	CA	CB	123.8°	109.4°
N	CA	HA	11.1°	109.5°
H	N	H2	107.3°	106.7°
C	CA	CB	113.1°	109.5°
C	CA	HA	126.3°	109.5°
CA	C	O	121.3°	120.0°
CB	CA	HA	119.6°	109.5°
CA	CB	CG	137.0°	109.5°
CA	CB	HB2	102.8°	109.4°
CA	CB	HB3	102.9°	109.5°
CG	CB	HB2	102.8°	109.5°
CG	CB	HB3	102.8°	109.5°
CB	CG	ND1	120.6°	126.6°
CB	CG	CD2	127.3°	126.6°
HB2	CB	HB3	105.5°	109.4°
ND1	CG	CD2	112.1°	106.8°
CG	ND1	CE1	98.7°	107.2°
CG	ND1	HD1	131.3°	126.3°
CG	CD2	NE2	109.1°	108.0°
CG	CD2	HD2	125.7°	125.9°
CE1	ND1	HD1	130.0°	126.5°
ND1	CE1	NE2	120.1°	108.7°
ND1	CE1	HE1	119.4°	125.6°
NE2	CD2	HD2	125.2°	126.0°
CD2	NE2	CE1	100.0°	109.3°
NE2	CE1	HE1	120.5°	125.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C8A	H1	179.9°	180.0°
C1	C2	C3	HC2	180.0°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	180.0°	179.9°
C2	C1	C8A	C4A	0.0°	0.0°
C2	C1	C8A	C8	179.9°	179.7°
C8A	C1	C2	C3	0.0°	0.0°
C8A	C1	C2	HC2	180.0°	180.0°
C1	C8A	C4A	C4	0.0°	0.0°
C1	C8A	C4A	C8	179.9°	179.7°
C1	C8A	C4A	C5	179.9°	180.0°
C1	C8A	C8	C7	179.9°	179.7°
C1	C8A	C8	H8	0.2°	0.0°
H1	C1	C2	C3	179.9°	180.0°
H1	C1	C2	HC2	0.0°	0.0°
H1	C1	C8A	C4A	180.0°	180.0°
H1	C1	C8A	C8	0.2°	0.3°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C4A	0.1°	0.0°
C2	C3	C4	H4	179.9°	179.9°
HC2	C2	C3	C4	180.0°	180.0°
HC2	C2	C3	H3	0.0°	0.1°
C3	C4	C4A	H4	180.0°	179.9°
C3	C4	C4A	C8A	0.1°	0.0°
C3	C4	C4A	C5	180.0°	180.0°
H3	C3	C4	C4A	180.0°	179.9°
H3	C3	C4	H4	0.1°	0.0°
C4	C4A	C8A	C5	179.9°	180.0°
C4	C4A	C8A	C8	179.9°	179.7°
C4	C4A	C5	C6	179.9°	180.0°
C4	C4A	C5	H5	0.2°	0.1°
H4	C4	C4A	C8A	179.9°	179.9°
H4	C4	C4A	C5	0.0°	0.1°
C4A	C8A	C8	C7	0.0°	0.6°
C4A	C8A	C8	H8	180.0°	179.7°
C8A	C4A	C5	C6	0.2°	0.0°
C8A	C4A	C5	H5	179.7°	180.0°
C5	C4A	C8A	C8	0.2°	0.3°
C4A	C5	C6	C7	0.1°	0.0°
C4A	C5	C6	H5	179.9°	180.0°
C4A	C5	C6	H6	180.0°	179.9°
C8A	C8	C7	H8	180.0°	179.7°
C8A	C8	C7	C6	0.1°	0.5°
C8A	C8	C7	N1	179.7°	179.7°
C8	C7	C6	N1	179.8°	179.7°
C8	C7	C6	C5	0.1°	0.2°
C8	C7	C6	H6	179.9°	179.6°
C8	C7	N1	C	135.3°	33.9°
C8	C7	N1	HN1	44.7°	146.0°
H8	C8	C7	C6	179.8°	179.8°
H8	C8	C7	N1	0.4°	0.0°
C7	C6	C5	H6	179.9°	179.9°
C7	C6	C5	H5	179.8°	180.0°
C6	C7	N1	C	44.5°	146.3°
C6	C7	N1	HN1	135.5°	33.8°
N1	C7	C6	C5	179.7°	180.0°
N1	C7	C6	H6	0.4°	0.1°
C7	N1	C	HN1	180.0°	179.9°
C7	N1	C	CA	176.8°	174.5°
C7	N1	C	O	0.1°	5.5°
H6	C6	C5	H5	0.1°	0.1°
N1	C	CA	N	146.7°	150.1°
N1	C	CA	O	176.9°	179.9°
N1	C	CA	CB	34.5°	90.0°
N1	C	CA	HA	133.7°	30.1°
HN1	N1	C	CA	3.2°	5.4°
HN1	N1	C	O	179.9°	174.6°
CA	N	H	H2	125.2°	113.8°
N	CA	C	CB	178.8°	120.0°
N	CA	C	HA	12.9°	119.9°
N	CA	CB	HA	12.1°	120.0°
N	CA	C	O	36.5°	30.0°
N	CA	CB	CG	0.2°	60.0°
N	CA	CB	HB2	125.0°	180.0°
N	CA	CB	HB3	125.5°	60.1°
H	N	CA	C	179.9°	60.0°
H	N	CA	CB	1.4°	60.0°
H	N	CA	HA	69.8°	179.9°
H2	N	CA	C	54.8°	53.8°
H2	N	CA	CB	126.5°	173.8°
H2	N	CA	HA	55.4°	66.1°
C	CA	CB	HA	169.1°	120.1°
C	CA	CB	CG	178.6°	180.0°
C	CA	CB	HB2	56.2°	60.0°
C	CA	CB	HB3	53.3°	59.9°
CB	CA	C	O	142.4°	89.9°
CA	CB	CG	HB2	125.2°	120.0°
CA	CB	CG	HB3	125.3°	120.1°
CA	CB	HB2	HB3	107.5°	120.0°
CA	CB	CG	ND1	172.2°	90.0°
CA	CB	CG	CD2	8.7°	90.4°
HA	CA	C	O	49.4°	149.9°
HA	CA	CB	CG	12.3°	60.0°
HA	CA	CB	HB2	112.9°	60.1°
HA	CA	CB	HB3	137.6°	180.0°
CG	CB	HB2	HB3	107.4°	120.0°
CB	CG	ND1	CD2	179.2°	179.7°
CB	CG	ND1	CE1	179.2°	180.0°
CB	CG	ND1	HD1	0.8°	0.0°
CB	CG	CD2	NE2	179.2°	179.8°
CB	CG	CD2	HD2	0.8°	0.3°
HB2	CB	CG	ND1	46.9°	30.0°
HB2	CB	CG	CD2	134.0°	149.7°
HB3	CB	CG	ND1	62.5°	149.9°
HB3	CB	CG	CD2	116.6°	29.7°
CG	ND1	CE1	HD1	180.0°	180.0°
ND1	CG	CD2	NE2	0.0°	0.4°
ND1	CG	CD2	HD2	180.0°	180.0°
CG	ND1	CE1	NE2	0.2°	0.0°
CG	ND1	CE1	HE1	179.9°	180.0°
CD2	CG	ND1	CE1	0.1°	0.3°
CD2	CG	ND1	HD1	179.9°	179.7°
CG	CD2	NE2	HD2	179.9°	179.6°
CG	CD2	NE2	CE1	0.1°	0.5°
ND1	CE1	NE2	CD2	0.2°	0.3°
ND1	CE1	NE2	HE1	180.0°	179.9°
HD1	ND1	CE1	NE2	179.8°	180.0°
HD1	ND1	CE1	HE1	0.2°	0.1°
CD2	NE2	CE1	HE1	179.8°	179.8°
HD2	CD2	NE2	CE1	179.9°	180.0°

Definition date:	2004-04-05
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1VEA