THZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C	sing	1.47Å	1.56Å
O	C	doub	1.21Å	1.26Å
C	CA	sing	1.51Å	1.55Å
CA	N	sing	1.47Å	1.49Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
C71	S1	sing	1.76Å	1.70Å	Aromatic
S1	C17	sing	1.76Å	1.80Å	Aromatic
CA	CB	sing	1.53Å	1.57Å
CA	HA	sing	1.09Å	1.10Å
CB	CG	sing	1.53Å	1.55Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CG	CD	sing	1.53Å	1.45Å
CD	NE	sing	1.46Å	1.47Å
CD	HD	sing	1.09Å	1.10Å
CD	HDA	sing	1.09Å	1.10Å
NE	CZ	sing	1.38Å	1.33Å
NE	HNE	sing	0.97Å	1.00Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
CZ	NH1	doub	1.30Å	1.35Å
CZ	NH2	sing	1.37Å	1.34Å
C21	N11	sing	1.33Å	1.39Å	Aromatic
N11	C17	doub	1.29Å	1.25Å	Aromatic
C71	C21	sing	1.40Å	1.36Å	Aromatic
C31	C21	doub	1.42Å	1.41Å	Aromatic
C41	C31	sing	1.36Å	1.42Å	Aromatic
C31	H31	sing	1.08Å	1.08Å
C51	C41	doub	1.39Å	1.40Å	Aromatic
C41	H41	sing	1.08Å	1.08Å
C51	C61	sing	1.37Å	1.42Å	Aromatic
C51	H51	sing	1.08Å	1.08Å
C61	C71	doub	1.40Å	1.40Å	Aromatic
C61	H61	sing	1.08Å	1.08Å
NH1	HNH1	sing	0.97Å	1.00Å
NH2	HNH2	sing	0.97Å	1.00Å
NH2	HNHA	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C	O	113.3°	120.0°
C17	C	CA	118.6°	120.0°
C	C17	S1	116.4°	124.9°
C	C17	N11	130.4°	124.9°
O	C	CA	117.2°	120.0°
C	CA	N	105.1°	109.5°
C	CA	CB	106.8°	109.5°
C	CA	HA	114.0°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
N	CA	CB	109.7°	109.5°
N	CA	HA	111.3°	109.5°
H	N	H2	109.4°	111.0°
C71	S1	C17	88.4°	90.3°
S1	C71	C21	110.8°	108.3°
S1	C71	C61	125.6°	131.4°
S1	C17	N11	113.2°	110.3°
CB	CA	HA	109.8°	109.4°
CA	CB	CG	103.8°	109.5°
CA	CB	HB	111.4°	109.4°
CA	CB	HBA	111.4°	109.5°
CG	CB	HB	111.4°	109.5°
CG	CB	HBA	111.4°	109.5°
CB	CG	CD	114.0°	109.5°
CB	CG	HG	108.0°	109.5°
CB	CG	HGA	108.0°	109.5°
HB	CB	HBA	107.5°	109.5°
CG	CD	NE	109.1°	109.5°
CG	CD	HD	109.6°	109.5°
CG	CD	HDA	109.6°	109.4°
CD	CG	HG	108.0°	109.4°
CD	CG	HGA	108.0°	109.5°
NE	CD	HD	109.6°	109.5°
NE	CD	HDA	109.6°	109.5°
CD	NE	CZ	117.3°	120.0°
CD	NE	HNE	121.4°	120.0°
HD	CD	HDA	109.3°	109.5°
CZ	NE	HNE	121.4°	120.0°
NE	CZ	NH1	114.8°	120.0°
NE	CZ	NH2	122.9°	120.0°
HG	CG	HGA	110.9°	109.5°
NH1	CZ	NH2	122.3°	120.0°
CZ	NH1	HNH1	112.0°	119.9°
CZ	NH2	HNH2	120.0°	120.0°
CZ	NH2	HNHA	120.0°	120.0°
C21	N11	C17	113.3°	118.2°
N11	C21	C71	114.2°	113.0°
N11	C21	C31	126.9°	128.8°
C71	C21	C31	118.8°	118.2°
C21	C71	C61	123.6°	120.3°
C21	C31	C41	119.6°	120.5°
C21	C31	H31	120.2°	119.7°
C41	C31	H31	120.2°	119.8°
C31	C41	C51	120.1°	120.9°
C31	C41	H41	119.9°	119.5°
C51	C41	H41	119.9°	119.6°
C41	C51	C61	119.9°	120.1°
C41	C51	H51	120.1°	119.9°
C61	C51	H51	120.1°	120.0°
C51	C61	C71	117.9°	120.0°
C51	C61	H61	121.1°	120.0°
C71	C61	H61	121.1°	119.9°
HNH2	NH2	HNHA	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C	O	CA	143.8°	179.7°
C17	C	CA	N	60.1°	165.3°
C	C17	S1	C71	179.1°	180.0°
C	C17	S1	N11	179.5°	180.0°
C17	C	CA	CB	176.6°	74.7°
C17	C	CA	HA	62.0°	45.3°
C	C17	N11	C21	178.4°	180.0°
O	C	CA	N	158.1°	15.0°
O	C	C17	S1	59.2°	0.3°
O	C	CA	CB	41.6°	105.0°
O	C	CA	HA	79.8°	135.0°
O	C	C17	N11	120.2°	179.7°
C	CA	N	CB	114.5°	120.0°
C	CA	N	HA	123.9°	120.0°
C	CA	N	H	180.0°	64.0°
C	CA	N	H2	60.0°	59.9°
CA	C	C17	S1	84.0°	180.0°
C	CA	CB	HA	124.0°	120.0°
C	CA	CB	CG	174.3°	175.0°
C	CA	CB	HB	65.7°	65.0°
C	CA	CB	HBA	54.3°	55.0°
CA	C	C17	N11	96.6°	0.0°
CA	N	H	H2	120.0°	124.0°
N	CA	CB	HA	122.6°	120.0°
N	CA	CB	CG	72.3°	65.0°
N	CA	CB	HB	47.7°	55.0°
N	CA	CB	HBA	167.7°	175.0°
H	N	CA	CB	65.5°	176.0°
H	N	CA	HA	56.1°	56.0°
H2	N	CA	CB	174.5°	60.0°
H2	N	CA	HA	63.9°	180.0°
S1	C71	C21	N11	0.9°	0.0°
C71	S1	C17	N11	1.4°	0.0°
S1	C71	C21	C61	179.5°	180.0°
S1	C71	C21	C31	178.5°	179.9°
S1	C71	C61	C51	179.3°	179.9°
S1	C71	C61	H61	0.6°	0.1°
S1	C17	N11	C21	2.1°	0.0°
C17	S1	C71	C21	0.2°	0.0°
C17	S1	C71	C61	179.7°	179.9°
CA	CB	CG	HB	120.0°	120.0°
CA	CB	CG	HBA	120.0°	120.0°
CA	CB	HB	HBA	122.3°	120.0°
CA	CB	CG	CD	177.5°	180.0°
CA	CB	CG	HG	57.5°	60.0°
CA	CB	CG	HGA	62.5°	60.0°
HA	CA	CB	CG	50.3°	55.0°
HA	CA	CB	HB	170.3°	175.0°
HA	CA	CB	HBA	69.7°	65.0°
CG	CB	HB	HBA	122.3°	120.1°
CB	CG	CD	HG	120.0°	120.0°
CB	CG	CD	HGA	120.0°	120.0°
CB	CG	CD	NE	166.0°	180.0°
CB	CG	CD	HD	74.0°	60.0°
CB	CG	CD	HDA	46.0°	60.0°
CB	CG	HG	HGA	118.1°	120.1°
HB	CB	CG	CD	62.5°	60.0°
HB	CB	CG	HG	177.5°	180.0°
HB	CB	CG	HGA	57.5°	60.0°
HBA	CB	CG	CD	57.5°	60.0°
HBA	CB	CG	HG	62.5°	60.0°
HBA	CB	CG	HGA	177.5°	180.0°
CG	CD	NE	HD	120.0°	120.0°
CG	CD	NE	HDA	120.0°	120.0°
CG	CD	HD	HDA	120.1°	120.0°
CG	CD	NE	CZ	174.2°	180.0°
CG	CD	NE	HNE	5.8°	0.0°
CD	CG	HG	HGA	118.1°	120.0°
NE	CD	HD	HDA	120.2°	120.0°
CD	NE	CZ	HNE	180.0°	180.0°
NE	CD	CG	HG	46.0°	60.0°
NE	CD	CG	HGA	74.0°	60.0°
CD	NE	CZ	NH1	24.3°	0.0°
CD	NE	CZ	NH2	154.4°	180.0°
HD	CD	NE	CZ	65.8°	60.0°
HD	CD	NE	HNE	114.2°	120.0°
HD	CD	CG	HG	166.0°	60.0°
HD	CD	CG	HGA	46.0°	180.0°
HDA	CD	NE	CZ	54.2°	60.0°
HDA	CD	NE	HNE	125.8°	120.0°
HDA	CD	CG	HG	74.0°	180.0°
HDA	CD	CG	HGA	166.0°	60.0°
NE	CZ	NH1	NH2	178.8°	180.0°
NE	CZ	NH1	HNH1	178.8°	180.0°
NE	CZ	NH2	HNH2	178.7°	0.1°
NE	CZ	NH2	HNHA	1.3°	180.0°
HNE	NE	CZ	NH1	155.7°	180.0°
HNE	NE	CZ	NH2	25.6°	0.1°
NH1	CZ	NH2	HNH2	0.0°	180.0°
NH1	CZ	NH2	HNHA	180.0°	0.1°
NH2	CZ	NH1	HNH1	0.0°	0.0°
CZ	NH2	HNH2	HNHA	180.0°	179.9°
N11	C21	C71	C31	177.6°	179.9°
N11	C21	C31	C41	177.9°	180.0°
N11	C21	C31	H31	2.2°	0.1°
N11	C21	C71	C61	178.6°	180.0°
C17	N11	C21	C71	2.0°	0.0°
C17	N11	C21	C31	179.4°	179.9°
C71	C21	C31	C41	0.6°	0.0°
C71	C21	C31	H31	179.4°	179.9°
C21	C71	C61	C51	0.1°	0.0°
C21	C71	C61	H61	179.9°	180.0°
C21	C31	C41	H31	180.0°	179.9°
C21	C31	C41	C51	0.7°	0.0°
C21	C31	C41	H41	179.3°	179.9°
C31	C21	C71	C61	1.0°	0.0°
C31	C41	C51	H41	180.0°	179.9°
C31	C41	C51	C61	1.6°	0.0°
C31	C41	C51	H51	178.4°	180.0°
H31	C31	C41	C51	179.3°	179.9°
H31	C31	C41	H41	0.7°	0.0°
C41	C51	C61	H51	180.0°	180.0°
C41	C51	C61	C71	1.2°	0.0°
C41	C51	C61	H61	178.7°	180.0°
H41	C41	C51	C61	178.4°	179.9°
H41	C41	C51	H51	1.7°	0.1°
C51	C61	C71	H61	180.0°	180.0°
H51	C51	C61	C71	178.7°	180.0°
H51	C51	C61	H61	1.3°	0.0°

Definition date:	1999-07-08
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Replaces:	BOT
Derived from:	1B5G