UC1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	doub	1.39Å	1.39Å	Aromatic
C2	C3	sing	1.39Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.39Å	Aromatic
C4	C3	doub	1.39Å	1.40Å	Aromatic
C4	CL	sing	1.74Å	1.71Å
C5	C6	doub	1.38Å	1.37Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C1	sing	1.39Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
O7	C8	sing	1.34Å	1.41Å	Aromatic
O7	C11	sing	1.34Å	1.39Å	Aromatic
C8	C9	doub	1.36Å	1.34Å	Aromatic
C8	CA	sing	1.51Å	1.53Å
C9	C10	sing	1.47Å	1.51Å	Aromatic
C9	C	sing	1.47Å	1.52Å
C10	C11	doub	1.34Å	1.35Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C11	H11	sing	1.08Å	1.10Å
CA	HA1	sing	1.09Å	1.12Å
CA	HA2	sing	1.09Å	1.11Å
CA	HA3	sing	1.09Å	1.11Å
C	S	doub	1.71Å	1.69Å
C	N	sing	1.35Å	1.39Å
N	C1	sing	1.40Å	1.42Å
N	HN	sing	0.97Å	1.02Å
C3	OB	sing	1.36Å	1.38Å
OB	CC	sing	1.43Å	1.45Å
CC	CD	sing	1.51Å	1.52Å
CC	HC1	sing	1.09Å	1.11Å
CC	HC2	sing	1.09Å	1.11Å
CD	CE	doub	1.31Å	1.33Å
CD	HD	sing	1.08Å	1.10Å
CE	CF	sing	1.51Å	1.48Å
CE	CG	sing	1.51Å	1.48Å
CF	HF1	sing	1.09Å	1.11Å
CF	HF2	sing	1.09Å	1.11Å
CF	HF3	sing	1.09Å	1.12Å
CG	HG1	sing	1.09Å	1.11Å
CG	HG2	sing	1.09Å	1.12Å
CG	HG3	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	120.3°	119.9°
C1	C2	H2	119.7°	120.1°
C2	C1	C6	119.4°	119.9°
C2	C1	N	124.7°	120.1°
C3	C2	H2	120.0°	120.0°
C2	C3	C4	119.3°	120.0°
C2	C3	OB	120.5°	120.0°
C5	C4	C3	120.0°	120.1°
C5	C4	CL	118.2°	120.0°
C4	C5	C6	120.4°	120.1°
C4	C5	H5	120.8°	120.0°
C3	C4	CL	121.7°	120.0°
C4	C3	OB	120.1°	120.0°
C6	C5	H5	118.8°	119.9°
C5	C6	C1	120.6°	120.1°
C5	C6	H6	118.5°	120.0°
C1	C6	H6	120.9°	119.9°
C6	C1	N	115.9°	120.0°
C8	O7	C11	105.8°	110.8°
O7	C8	C9	111.5°	108.4°
O7	C8	CA	115.7°	125.7°
O7	C11	C10	111.2°	109.1°
O7	C11	H11	125.6°	125.4°
C9	C8	CA	132.7°	125.8°
C8	C9	C10	105.0°	105.6°
C8	C9	C	124.3°	127.3°
C8	CA	HA1	115.7°	109.5°
C8	CA	HA2	109.9°	109.5°
C8	CA	HA3	109.9°	109.5°
C10	C9	C	130.7°	127.1°
C9	C10	C11	106.5°	105.9°
C9	C10	H10	131.0°	127.0°
C9	C	S	122.0°	120.0°
C9	C	N	120.3°	120.1°
C11	C10	H10	122.5°	127.0°
C10	C11	H11	123.2°	125.5°
HA1	CA	HA2	109.9°	109.4°
HA1	CA	HA3	109.9°	109.4°
HA2	CA	HA3	100.3°	109.5°
S	C	N	117.6°	120.0°
C	N	C1	128.3°	120.0°
C	N	HN	114.8°	120.0°
C1	N	HN	116.9°	120.0°
C3	OB	CC	120.0°	106.8°
OB	CC	CD	108.7°	109.5°
OB	CC	HC1	112.5°	109.5°
OB	CC	HC2	112.5°	109.5°
CD	CC	HC1	112.5°	109.5°
CD	CC	HC2	112.4°	109.5°
CC	CD	CE	125.0°	120.0°
CC	CD	HD	124.5°	120.0°
HC1	CC	HC2	98.0°	109.4°
CE	CD	HD	110.5°	120.0°
CD	CE	CF	122.5°	120.0°
CD	CE	CG	122.8°	120.0°
CF	CE	CG	114.7°	120.0°
CE	CF	HF1	122.5°	109.5°
CE	CF	HF2	107.6°	109.5°
CE	CF	HF3	107.5°	109.5°
CE	CG	HG1	122.8°	109.5°
CE	CG	HG2	107.5°	109.5°
CE	CG	HG3	107.5°	109.5°
HF1	CF	HF2	107.6°	109.4°
HF1	CF	HF3	107.6°	109.5°
HF2	CF	HF3	102.2°	109.5°
HG1	CG	HG2	107.4°	109.5°
HG1	CG	HG3	107.5°	109.4°
HG2	CG	HG3	102.3°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.3°	0.2°
C2	C1	C6	C5	0.5°	0.0°
C2	C1	C6	N	179.6°	180.0°
C2	C1	C6	H6	179.5°	180.0°
C2	C1	N	C	14.3°	138.9°
C2	C1	N	HN	165.6°	41.1°
C1	C2	C3	OB	178.3°	180.0°
C2	C3	C4	C5	0.5°	0.5°
C2	C3	C4	OB	178.6°	179.7°
C2	C3	C4	CL	177.1°	180.0°
C3	C2	C1	C6	0.8°	0.0°
C3	C2	C1	N	179.7°	180.0°
C2	C3	OB	CC	12.3°	0.0°
H2	C2	C3	C4	179.7°	179.8°
H2	C2	C1	C6	179.2°	180.0°
H2	C2	C1	N	0.4°	0.0°
H2	C2	C3	OB	1.8°	0.0°
C5	C4	C3	CL	177.5°	179.5°
C4	C5	C6	H5	180.0°	179.8°
C4	C5	C6	C1	0.3°	0.3°
C4	C5	C6	H6	179.8°	179.7°
C5	C4	C3	OB	179.0°	179.8°
C3	C4	C5	C6	0.8°	0.6°
C3	C4	C5	H5	179.2°	179.7°
C4	C3	OB	CC	166.3°	179.7°
CL	C4	C5	C6	176.9°	180.0°
CL	C4	C5	H5	3.2°	0.2°
CL	C4	C3	OB	1.5°	0.3°
C5	C6	C1	H6	179.9°	180.0°
C5	C6	C1	N	179.9°	180.0°
H5	C5	C6	C1	179.7°	180.0°
H5	C5	C6	H6	0.3°	0.0°
C6	C1	N	C	166.1°	41.1°
C6	C1	N	HN	13.9°	138.9°
H6	C6	C1	N	0.1°	0.0°
O7	C8	C9	CA	179.5°	179.6°
O7	C8	C9	C10	0.2°	0.4°
O7	C8	C9	C	177.7°	179.9°
C8	O7	C11	C10	0.1°	0.3°
C8	O7	C11	H11	179.9°	179.8°
O7	C8	CA	HA1	180.0°	0.0°
O7	C8	CA	HA2	54.8°	120.0°
O7	C8	CA	HA3	54.8°	120.0°
C11	O7	C8	C9	0.2°	0.4°
C11	O7	C8	CA	179.8°	180.0°
O7	C11	C10	C9	0.0°	0.0°
O7	C11	C10	H11	180.0°	180.0°
O7	C11	C10	H10	180.0°	180.0°
C8	C9	C10	C	177.4°	179.7°
C8	C9	C10	C11	0.1°	0.2°
C8	C9	C10	H10	179.9°	179.8°
C9	C8	CA	HA1	0.5°	179.5°
C9	C8	CA	HA2	124.7°	60.5°
C9	C8	CA	HA3	125.8°	59.5°
C8	C9	C	S	35.1°	0.3°
C8	C9	C	N	149.0°	179.7°
CA	C8	C9	C10	179.7°	180.0°
CA	C8	C9	C	2.8°	0.3°
C8	CA	HA1	HA2	125.3°	120.0°
C8	CA	HA1	HA3	125.2°	120.0°
C8	CA	HA2	HA3	115.8°	120.0°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	H11	180.0°	180.0°
C10	C9	C	S	141.8°	180.0°
C10	C9	C	N	34.1°	0.1°
C	C9	C10	C11	177.4°	179.9°
C	C9	C10	H10	2.5°	0.0°
C9	C	S	N	176.0°	179.9°
C9	C	N	C1	18.6°	174.3°
C9	C	N	HN	161.5°	5.8°
H10	C10	C11	H11	0.0°	0.0°
HA1	CA	HA2	HA3	115.7°	119.9°
S	C	N	C1	165.3°	5.7°
S	C	N	HN	14.6°	174.3°
C	N	C1	HN	179.9°	180.0°
C3	OB	CC	CD	74.0°	180.0°
C3	OB	CC	HC1	160.8°	60.0°
C3	OB	CC	HC2	51.2°	60.0°
OB	CC	CD	HC1	125.2°	120.0°
OB	CC	CD	HC2	125.2°	120.0°
OB	CC	HC1	HC2	118.5°	120.0°
OB	CC	CD	CE	88.4°	135.8°
OB	CC	CD	HD	91.5°	44.3°
CD	CC	HC1	HC2	118.4°	120.0°
CC	CD	CE	HD	179.9°	179.9°
CC	CD	CE	CF	179.9°	179.3°
CC	CD	CE	CG	0.5°	0.7°
HC1	CC	CD	CE	36.8°	104.2°
HC1	CC	CD	HD	143.3°	75.8°
HC2	CC	CD	CE	146.3°	15.8°
HC2	CC	CD	HD	33.8°	164.3°
CD	CE	CF	CG	179.6°	179.9°
CD	CE	CF	HF1	179.9°	180.0°
CD	CE	CF	HF2	54.7°	60.1°
CD	CE	CF	HF3	54.7°	59.9°
CD	CE	CG	HG1	179.9°	54.8°
CD	CE	CG	HG2	54.7°	174.8°
CD	CE	CG	HG3	54.8°	65.2°
HD	CD	CE	CF	0.1°	0.6°
HD	CD	CE	CG	179.5°	179.3°
CE	CF	HF1	HF2	125.3°	120.0°
CE	CF	HF1	HF3	125.2°	120.0°
CE	CF	HF2	HF3	113.1°	120.0°
CF	CE	CG	HG1	0.4°	125.3°
CF	CE	CG	HG2	125.6°	5.3°
CF	CE	CG	HG3	124.9°	114.7°
CG	CE	CF	HF1	0.4°	0.1°
CG	CE	CF	HF2	124.9°	120.0°
CG	CE	CF	HF3	125.6°	120.0°
CE	CG	HG1	HG2	125.2°	120.0°
CE	CG	HG1	HG3	125.3°	120.0°
CE	CG	HG2	HG3	113.0°	120.0°
HF1	CF	HF2	HF3	113.1°	120.0°
HG1	CG	HG2	HG3	113.0°	120.0°

Definition date:	1999-07-08
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1RT4