UC3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	S	doub	1.71Å	1.69Å
C	N	sing	1.35Å	1.42Å
C	OF	sing	1.35Å	1.38Å
N	C1	sing	1.40Å	1.45Å
N	HN	sing	0.97Å	1.02Å
C1	C2	doub	1.38Å	1.41Å	Aromatic
C1	C6	sing	1.39Å	1.41Å	Aromatic
C2	C3	sing	1.40Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.40Å	1.42Å	Aromatic
C3	CA	sing	1.48Å	1.54Å
C4	CL4	sing	1.74Å	1.76Å
C4	C5	sing	1.38Å	1.41Å	Aromatic
C5	C6	doub	1.38Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
CA	OB	sing	1.35Å	1.38Å
CA	OA	doub	1.22Å	1.22Å
OB	CC	sing	1.45Å	1.44Å
CC	CD	sing	1.53Å	1.54Å
CC	CE	sing	1.53Å	1.54Å
CC	HC	sing	1.09Å	1.11Å
CD	HD1	sing	1.09Å	1.11Å
CD	HD2	sing	1.09Å	1.12Å
CD	HD3	sing	1.09Å	1.12Å
CE	HE1	sing	1.09Å	1.11Å
CE	HE2	sing	1.09Å	1.12Å
CE	HE3	sing	1.09Å	1.11Å
OF	CG	sing	1.45Å	1.45Å
CG	CH	sing	1.53Å	1.55Å
CG	CI	sing	1.53Å	1.55Å
CG	HG	sing	1.09Å	1.12Å
CH	HH1	sing	1.09Å	1.11Å
CH	HH2	sing	1.09Å	1.12Å
CH	HH3	sing	1.09Å	1.12Å
CI	HI1	sing	1.09Å	1.11Å
CI	HI2	sing	1.09Å	1.11Å
CI	HI3	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S	C	N	120.4°	120.0°
S	C	OF	127.8°	120.0°
N	C	OF	111.7°	120.0°
C	N	C1	129.9°	120.0°
C	N	HN	113.5°	120.0°
C	OF	CG	117.5°	120.0°
C1	N	HN	116.6°	120.0°
N	C1	C2	120.8°	120.0°
N	C1	C6	120.3°	119.9°
C2	C1	C6	118.9°	120.1°
C1	C2	C3	121.3°	119.8°
C1	C2	H2	119.7°	120.1°
C1	C6	C5	120.4°	120.3°
C1	C6	H6	120.2°	119.9°
C3	C2	H2	119.0°	120.1°
C2	C3	C4	118.9°	119.7°
C2	C3	CA	117.5°	120.2°
C4	C3	CA	123.6°	120.1°
C3	C4	CL4	120.6°	120.0°
C3	C4	C5	120.5°	120.0°
C3	CA	OB	112.0°	120.0°
C3	CA	OA	124.7°	120.0°
CL4	C4	C5	118.9°	120.0°
C4	C5	C6	120.0°	120.2°
C4	C5	H5	120.2°	119.9°
C6	C5	H5	119.8°	119.9°
C5	C6	H6	119.4°	119.8°
OB	CA	OA	123.3°	120.0°
CA	OB	CC	113.1°	120.1°
OB	CC	CD	108.1°	109.5°
OB	CC	CE	108.6°	109.5°
OB	CC	HC	111.7°	109.4°
CD	CC	CE	111.7°	109.5°
CD	CC	HC	108.6°	109.5°
CC	CD	HD1	108.1°	109.5°
CC	CD	HD2	112.7°	109.5°
CC	CD	HD3	112.7°	109.5°
CE	CC	HC	108.2°	109.4°
CC	CE	HE1	108.6°	109.5°
CC	CE	HE2	112.5°	109.5°
CC	CE	HE3	112.5°	109.5°
HD1	CD	HD2	112.7°	109.4°
HD1	CD	HD3	112.7°	109.5°
HD2	CD	HD3	97.7°	109.5°
HE1	CE	HE2	112.5°	109.5°
HE1	CE	HE3	112.6°	109.5°
HE2	CE	HE3	98.0°	109.4°
OF	CG	CH	108.6°	109.5°
OF	CG	CI	108.9°	109.4°
OF	CG	HG	111.2°	109.4°
CH	CG	CI	111.8°	109.4°
CH	CG	HG	108.3°	109.5°
CG	CH	HH1	108.6°	109.5°
CG	CH	HH2	112.5°	109.4°
CG	CH	HH3	112.5°	109.5°
CI	CG	HG	108.0°	109.5°
CG	CI	HI1	108.8°	109.5°
CG	CI	HI2	112.4°	109.5°
CG	CI	HI3	112.4°	109.5°
HH1	CH	HH2	112.5°	109.5°
HH1	CH	HH3	112.6°	109.5°
HH2	CH	HH3	97.9°	109.5°
HI1	CI	HI2	112.5°	109.5°
HI1	CI	HI3	112.5°	109.4°
HI2	CI	HI3	98.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S	C	N	OF	179.8°	180.0°
S	C	N	C1	174.0°	5.8°
S	C	N	HN	6.0°	174.2°
S	C	OF	CG	52.3°	0.0°
C	N	C1	HN	180.0°	179.9°
C	N	C1	C2	23.6°	41.8°
C	N	C1	C6	156.6°	138.5°
N	C	OF	CG	127.9°	180.0°
OF	C	N	C1	6.2°	174.2°
OF	C	N	HN	173.8°	5.7°
C	OF	CG	CH	177.4°	150.0°
C	OF	CG	CI	55.4°	90.0°
C	OF	CG	HG	63.5°	29.9°
N	C1	C2	C6	179.8°	179.7°
N	C1	C2	C3	179.7°	179.7°
N	C1	C2	H2	0.2°	0.2°
N	C1	C6	C5	179.8°	180.0°
N	C1	C6	H6	0.2°	0.1°
HN	N	C1	C2	156.3°	138.1°
HN	N	C1	C6	23.4°	41.6°
C1	C2	C3	H2	180.0°	179.5°
C1	C2	C3	C4	0.5°	0.6°
C1	C2	C3	CA	179.8°	179.7°
C2	C1	C6	C5	0.0°	0.3°
C2	C1	C6	H6	180.0°	179.7°
C6	C1	C2	C3	0.0°	0.6°
C6	C1	C2	H2	180.0°	179.9°
C1	C6	C5	C4	0.4°	0.1°
C1	C6	C5	H6	180.0°	179.9°
C1	C6	C5	H5	179.5°	180.0°
C2	C3	C4	CA	179.6°	179.6°
C2	C3	C4	CL4	177.6°	179.7°
C2	C3	C4	C5	1.0°	0.4°
C2	C3	CA	OB	110.5°	0.3°
C2	C3	CA	OA	69.6°	179.7°
H2	C2	C3	C4	179.5°	179.8°
H2	C2	C3	CA	0.2°	0.2°
C3	C4	CL4	C5	178.7°	179.9°
C3	C4	C5	C6	1.0°	0.1°
C3	C4	C5	H5	179.0°	179.9°
C4	C3	CA	OB	69.9°	179.9°
C4	C3	CA	OA	110.1°	0.1°
CA	C3	C4	CL4	2.0°	0.1°
CA	C3	C4	C5	179.3°	180.0°
C3	CA	OB	OA	180.0°	180.0°
C3	CA	OB	CC	129.7°	180.0°
CL4	C4	C5	C6	177.7°	180.0°
CL4	C4	C5	H5	2.3°	0.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	179.6°	180.0°
H5	C5	C6	H6	0.5°	0.0°
CA	OB	CC	CD	138.1°	150.0°
CA	OB	CC	CE	100.6°	90.0°
CA	OB	CC	HC	18.6°	30.0°
OA	CA	OB	CC	50.3°	0.1°
OB	CC	CD	CE	119.4°	120.0°
OB	CC	CD	HC	121.4°	120.0°
OB	CC	CE	HC	121.4°	119.9°
OB	CC	CD	HD1	180.0°	180.0°
OB	CC	CD	HD2	54.7°	60.0°
OB	CC	CD	HD3	54.7°	60.0°
OB	CC	CE	HE1	180.0°	60.0°
OB	CC	CE	HE2	54.8°	60.0°
OB	CC	CE	HE3	54.7°	179.9°
CD	CC	CE	HC	119.5°	120.1°
CC	CD	HD1	HD2	125.3°	119.9°
CC	CD	HD1	HD3	125.3°	120.0°
CC	CD	HD2	HD3	118.6°	120.1°
CD	CC	CE	HE1	60.9°	60.0°
CD	CC	CE	HE2	64.3°	180.0°
CD	CC	CE	HE3	173.9°	60.1°
CE	CC	CD	HD1	60.6°	60.0°
CE	CC	CD	HD2	174.1°	180.0°
CE	CC	CD	HD3	64.7°	60.0°
CC	CE	HE1	HE2	125.2°	120.0°
CC	CE	HE1	HE3	125.2°	120.1°
CC	CE	HE2	HE3	118.5°	120.0°
HC	CC	CD	HD1	58.6°	60.0°
HC	CC	CD	HD2	66.7°	60.0°
HC	CC	CD	HD3	176.1°	180.0°
HC	CC	CE	HE1	58.6°	179.9°
HC	CC	CE	HE2	176.2°	59.9°
HC	CC	CE	HE3	66.6°	60.0°
HD1	CD	HD2	HD3	118.6°	120.0°
HE1	CE	HE2	HE3	118.5°	120.0°
OF	CG	CH	CI	120.2°	120.0°
OF	CG	CH	HG	120.9°	120.0°
OF	CG	CI	HG	120.9°	119.9°
OF	CG	CH	HH1	179.9°	180.0°
OF	CG	CH	HH2	54.7°	60.0°
OF	CG	CH	HH3	54.7°	60.0°
OF	CG	CI	HI1	180.0°	60.1°
OF	CG	CI	HI2	54.7°	60.0°
OF	CG	CI	HI3	54.7°	180.0°
CH	CG	CI	HG	119.1°	120.0°
CG	CH	HH1	HH2	125.2°	120.0°
CG	CH	HH1	HH3	125.3°	120.0°
CG	CH	HH2	HH3	118.4°	120.0°
CH	CG	CI	HI1	60.0°	60.0°
CH	CG	CI	HI2	65.3°	179.9°
CH	CG	CI	HI3	174.8°	60.0°
CI	CG	CH	HH1	59.9°	60.0°
CI	CG	CH	HH2	174.9°	180.0°
CI	CG	CH	HH3	65.5°	60.0°
CG	CI	HI1	HI2	125.3°	120.1°
CG	CI	HI1	HI3	125.2°	120.0°
CG	CI	HI2	HI3	118.3°	120.0°
HG	CG	CH	HH1	59.1°	60.0°
HG	CG	CH	HH2	66.2°	60.0°
HG	CG	CH	HH3	175.6°	180.0°
HG	CG	CI	HI1	59.1°	180.0°
HG	CG	CI	HI2	175.6°	59.9°
HG	CG	CI	HI3	66.1°	60.0°
HH1	CH	HH2	HH3	118.5°	120.0°
HI1	CI	HI2	HI3	118.4°	120.0°

Definition date:	1999-07-08
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1RT6