ABB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C54	sing	1.47Å	1.44Å
N1	C53	sing	1.47Å	1.44Å
N1	C1	sing	1.35Å	1.42Å
C54	C51	sing	1.55Å	1.52Å
C54	H541	sing	1.09Å	1.12Å
C54	H542	sing	1.09Å	1.11Å
C53	C52	sing	1.54Å	1.51Å
C53	CP	sing	1.51Å	1.54Å
C53	HC53	sing	1.09Å	1.12Å
C52	C51	sing	1.55Å	1.45Å
C52	H521	sing	1.09Å	1.12Å
C52	H522	sing	1.09Å	1.12Å
C51	O1	sing	1.43Å	1.42Å
C51	HC51	sing	1.09Å	1.11Å
CP	OP	doub	1.21Å	1.20Å
CP	N	sing	1.35Å	1.52Å
N	CA	sing	1.46Å	1.51Å
N	H	sing	0.97Å	1.02Å
CA	CB	sing	1.53Å	1.57Å
CA	C	sing	1.51Å	1.54Å
CA	HCA	sing	1.09Å	1.11Å
CB	CG	sing	1.53Å	1.53Å
CB	HCB1	sing	1.09Å	1.12Å
CB	HCB2	sing	1.09Å	1.12Å
CG	CD	sing	1.53Å	1.50Å
CG	HCG1	sing	1.09Å	1.11Å
CG	HCG2	sing	1.09Å	1.12Å
CD	NE	sing	1.46Å	1.48Å
CD	HCD1	sing	1.09Å	1.12Å
CD	HCD2	sing	1.09Å	1.11Å
NE	CZ	sing	1.38Å	1.49Å
NE	HNE	sing	0.97Å	1.02Å
CZ	NH1	doub	1.30Å	1.49Å
CZ	NH2	sing	1.37Å	1.43Å
NH1	HH1	sing	0.97Å	1.02Å
NH2	HH21	sing	0.97Å	1.02Å
NH2	HH22	sing	0.97Å	1.02Å
O	C	doub	1.21Å	1.49Å
N5	C5	doub	1.32Å	1.37Å	Aromatic
N5	C61	sing	1.33Å	1.38Å	Aromatic
C5	S5	sing	1.79Å	1.72Å	Aromatic
C5	C	sing	1.47Å	1.55Å
S5	C62	sing	1.78Å	1.74Å	Aromatic
C61	C62	doub	1.42Å	1.43Å	Aromatic
C61	C66	sing	1.42Å	1.44Å	Aromatic
C62	C63	sing	1.38Å	1.42Å	Aromatic
C63	C64	doub	1.38Å	1.43Å	Aromatic
C63	HC63	sing	1.08Å	1.10Å
C64	C65	sing	1.39Å	1.44Å	Aromatic
C64	HC64	sing	1.08Å	1.10Å
C65	C66	doub	1.36Å	1.45Å	Aromatic
C65	HC65	sing	1.08Å	1.10Å
C66	HC66	sing	1.08Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
C1	C2	sing	1.51Å	1.54Å
C1	O2	doub	1.21Å	1.26Å
C2	HC21	sing	1.09Å	1.11Å
C2	HC22	sing	1.09Å	1.11Å
C2	HC23	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C54	N1	C53	105.4°	108.7°
C54	N1	C1	120.2°	125.6°
N1	C54	C51	110.8°	104.8°
N1	C54	H541	111.7°	110.4°
N1	C54	H542	111.7°	110.4°
C53	N1	C1	109.7°	125.6°
N1	C53	C52	111.4°	107.2°
N1	C53	CP	111.0°	110.3°
N1	C53	HC53	107.3°	109.6°
N1	C1	C2	121.9°	120.0°
N1	C1	O2	122.1°	120.0°
C51	C54	H541	111.7°	110.3°
C51	C54	H542	111.7°	110.4°
C54	C51	C52	106.3°	101.6°
C54	C51	O1	109.1°	111.0°
C54	C51	HC51	111.7°	111.0°
H541	C54	H542	98.7°	110.4°
C52	C53	CP	109.8°	109.9°
C52	C53	HC53	108.5°	109.9°
C53	C52	C51	106.1°	103.0°
C53	C52	H521	113.5°	110.8°
C53	C52	H522	113.5°	110.5°
CP	C53	HC53	108.9°	109.9°
C53	CP	OP	118.5°	120.0°
C53	CP	N	108.4°	120.1°
C51	C52	H521	113.5°	110.7°
C51	C52	H522	113.5°	110.7°
C52	C51	O1	109.5°	111.1°
C52	C51	HC51	111.4°	111.0°
H521	C52	H522	96.9°	110.8°
O1	C51	HC51	108.7°	110.9°
C51	O1	HO1	109.2°	106.8°
OP	CP	N	112.8°	119.9°
CP	N	CA	125.7°	120.0°
CP	N	H	117.3°	119.9°
CA	N	H	117.0°	120.1°
N	CA	CB	105.6°	109.4°
N	CA	C	112.7°	109.5°
N	CA	HCA	110.3°	109.5°
CB	CA	C	110.3°	109.4°
CB	CA	HCA	112.6°	109.5°
CA	CB	CG	108.1°	109.5°
CA	CB	HCB1	112.7°	109.5°
CA	CB	HCB2	112.7°	109.5°
C	CA	HCA	105.5°	109.5°
CA	C	O	107.9°	120.0°
CA	C	C5	106.8°	120.0°
CG	CB	HCB1	112.7°	109.5°
CG	CB	HCB2	112.8°	109.4°
CB	CG	CD	113.5°	109.5°
CB	CG	HCG1	110.7°	109.5°
CB	CG	HCG2	110.7°	109.4°
HCB1	CB	HCB2	97.7°	109.5°
CD	CG	HCG1	110.7°	109.5°
CD	CG	HCG2	110.7°	109.5°
CG	CD	NE	107.7°	109.5°
CG	CD	HCD1	112.8°	109.5°
CG	CD	HCD2	112.8°	109.5°
HCG1	CG	HCG2	99.7°	109.5°
NE	CD	HCD1	112.9°	109.5°
NE	CD	HCD2	112.9°	109.4°
CD	NE	CZ	121.0°	120.1°
CD	NE	HNE	108.1°	120.0°
HCD1	CD	HCD2	97.5°	109.5°
CZ	NE	HNE	108.1°	119.9°
NE	CZ	NH1	115.4°	119.9°
NE	CZ	NH2	106.9°	120.1°
NH1	CZ	NH2	134.4°	120.0°
CZ	NH1	HH1	49.3°	120.0°
CZ	NH2	HH21	107.0°	120.0°
CZ	NH2	HH22	113.2°	120.0°
HH21	NH2	HH22	113.1°	120.0°
O	C	C5	111.9°	120.0°
C5	N5	C61	113.3°	122.8°
N5	C5	S5	111.3°	102.2°
N5	C5	C	124.9°	128.9°
N5	C61	C62	114.3°	115.7°
N5	C61	C66	125.5°	128.2°
S5	C5	C	123.8°	128.9°
C5	S5	C62	93.3°	97.0°
S5	C62	C61	107.8°	102.2°
S5	C62	C63	131.7°	135.3°
C62	C61	C66	120.1°	116.1°
C61	C62	C63	120.5°	122.5°
C61	C66	C65	119.6°	120.8°
C61	C66	HC66	119.6°	119.6°
C62	C63	C64	120.1°	119.4°
C62	C63	HC63	119.5°	120.3°
C64	C63	HC63	120.4°	120.3°
C63	C64	C65	120.4°	119.4°
C63	C64	HC64	119.6°	120.3°
C65	C64	HC64	120.0°	120.3°
C64	C65	C66	119.2°	121.8°
C64	C65	HC65	119.9°	119.1°
C66	C65	HC65	120.9°	119.2°
C65	C66	HC66	120.8°	119.6°
C2	C1	O2	115.9°	120.0°
C1	C2	HC21	121.9°	109.5°
C1	C2	HC22	107.8°	109.5°
C1	C2	HC23	107.8°	109.5°
HC21	C2	HC22	107.8°	109.4°
HC21	C2	HC23	107.8°	109.5°
HC22	C2	HC23	102.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C54	N1	C53	C1	130.8°	179.7°
N1	C54	C51	H541	125.2°	118.8°
N1	C54	C51	H542	125.3°	118.9°
N1	C54	H541	H542	117.7°	122.3°
C54	N1	C53	C52	2.0°	1.4°
C54	N1	C53	CP	124.7°	118.2°
C54	N1	C53	HC53	116.5°	120.7°
N1	C54	C51	C52	1.0°	37.0°
N1	C54	C51	O1	117.0°	81.1°
N1	C54	C51	HC51	122.7°	155.1°
C54	N1	C1	C2	26.2°	0.1°
C54	N1	C1	O2	156.5°	180.0°
C53	N1	C54	C51	0.6°	24.4°
C53	N1	C54	H541	124.6°	143.2°
C53	N1	C54	H542	125.9°	94.5°
N1	C53	C52	CP	123.4°	119.9°
N1	C53	C52	HC53	117.8°	119.1°
N1	C53	CP	HC53	117.8°	120.9°
N1	C53	C52	C51	2.6°	21.9°
N1	C53	C52	H521	122.7°	140.3°
N1	C53	C52	H522	127.9°	96.4°
N1	C53	CP	OP	1.0°	28.1°
N1	C53	CP	N	131.2°	152.0°
C53	N1	C1	C2	148.6°	179.7°
C53	N1	C1	O2	34.1°	0.3°
C1	N1	C54	C51	125.1°	155.9°
C1	N1	C54	H541	0.1°	37.1°
C1	N1	C54	H542	109.7°	85.3°
C1	N1	C53	C52	132.8°	178.9°
C1	N1	C53	CP	104.5°	61.5°
C1	N1	C53	HC53	14.3°	59.6°
N1	C1	C2	O2	177.4°	180.0°
N1	C1	C2	HC21	180.0°	180.0°
N1	C1	C2	HC22	54.7°	60.0°
N1	C1	C2	HC23	54.7°	60.0°
C51	C54	H541	H542	117.6°	122.3°
C54	C51	C52	C53	2.1°	35.3°
C54	C51	C52	O1	117.8°	118.1°
C54	C51	C52	HC51	122.0°	118.0°
C54	C51	C52	H521	123.2°	153.9°
C54	C51	C52	H522	127.4°	82.9°
C54	C51	O1	HC51	122.1°	123.8°
C54	C51	O1	HO1	180.0°	61.4°
H541	C54	C51	C52	126.2°	155.9°
H541	C54	C51	O1	8.2°	37.7°
H541	C54	C51	HC51	112.0°	86.0°
H542	C54	C51	C52	124.3°	81.8°
H542	C54	C51	O1	117.7°	160.0°
H542	C54	C51	HC51	2.6°	36.3°
C52	C53	CP	HC53	118.6°	121.0°
C53	C52	C51	H521	125.3°	118.5°
C53	C52	C51	H522	125.3°	118.2°
C53	C52	H521	H522	119.4°	123.1°
C53	C52	C51	O1	115.7°	82.8°
C53	C52	C51	HC51	124.0°	153.4°
C52	C53	CP	OP	124.5°	89.9°
C52	C53	CP	N	105.3°	90.0°
CP	C53	C52	C51	126.0°	141.8°
CP	C53	C52	H521	0.7°	99.8°
CP	C53	C52	H522	108.7°	23.5°
C53	CP	OP	N	128.2°	179.9°
C53	CP	N	CA	178.7°	180.0°
C53	CP	N	H	1.3°	0.1°
HC53	C53	C52	C51	115.2°	97.2°
HC53	C53	C52	H521	119.5°	21.2°
HC53	C53	C52	H522	10.1°	144.5°
HC53	C53	CP	OP	116.9°	149.0°
HC53	C53	CP	N	13.3°	31.0°
C51	C52	H521	H522	119.4°	123.2°
C52	C51	O1	HC51	121.9°	124.0°
C52	C51	O1	HO1	64.0°	173.6°
H521	C52	C51	O1	119.0°	35.8°
H521	C52	C51	HC51	1.3°	88.1°
H522	C52	C51	O1	9.6°	159.1°
H522	C52	C51	HC51	110.7°	35.2°
HC51	C51	O1	HO1	57.9°	62.4°
OP	CP	N	CA	45.5°	0.0°
OP	CP	N	H	134.6°	179.9°
CP	N	CA	H	180.0°	179.9°
CP	N	CA	CB	149.1°	150.0°
CP	N	CA	C	90.4°	90.0°
CP	N	CA	HCA	27.3°	30.0°
N	CA	CB	C	122.0°	120.0°
N	CA	CB	HCA	120.4°	120.0°
N	CA	C	HCA	120.4°	120.0°
N	CA	CB	CG	58.0°	60.0°
N	CA	CB	HCB1	67.3°	60.0°
N	CA	CB	HCB2	176.7°	180.0°
N	CA	C	O	179.0°	29.9°
N	CA	C	C5	60.5°	150.0°
H	N	CA	CB	30.9°	30.1°
H	N	CA	C	89.6°	89.9°
H	N	CA	HCA	152.8°	150.1°
CB	CA	C	HCA	121.9°	120.1°
CA	CB	CG	HCB1	125.3°	120.0°
CA	CB	CG	HCB2	125.3°	120.0°
CA	CB	HCB1	HCB2	118.6°	120.0°
CA	CB	CG	CD	179.1°	NaN°
CA	CB	CG	HCG1	55.7°	60.0°
CA	CB	CG	HCG2	53.8°	60.0°
CB	CA	C	O	61.3°	90.0°
CB	CA	C	C5	178.2°	90.0°
C	CA	CB	CG	180.0°	180.0°
C	CA	CB	HCB1	54.7°	60.0°
C	CA	CB	HCB2	54.7°	60.0°
CA	C	O	C5	117.2°	179.9°
CA	C	C5	N5	88.5°	0.3°
CA	C	C5	S5	91.5°	179.9°
HCA	CA	CB	CG	62.4°	60.0°
HCA	CA	CB	HCB1	172.3°	180.0°
HCA	CA	CB	HCB2	62.9°	60.0°
HCA	CA	C	O	60.6°	149.9°
HCA	CA	C	C5	59.9°	30.0°
CG	CB	HCB1	HCB2	118.7°	119.9°
CB	CG	CD	HCG1	125.2°	120.0°
CB	CG	CD	HCG2	125.2°	120.0°
CB	CG	HCG1	HCG2	116.6°	120.0°
CB	CG	CD	NE	179.9°	180.0°
CB	CG	CD	HCD1	54.8°	59.9°
CB	CG	CD	HCD2	54.6°	60.1°
HCB1	CB	CG	CD	53.8°	60.0°
HCB1	CB	CG	HCG1	179.0°	180.0°
HCB1	CB	CG	HCG2	71.4°	60.0°
HCB2	CB	CG	CD	55.6°	60.0°
HCB2	CB	CG	HCG1	69.6°	60.0°
HCB2	CB	CG	HCG2	179.2°	180.0°
CD	CG	HCG1	HCG2	116.6°	120.0°
CG	CD	NE	HCD1	125.3°	120.1°
CG	CD	NE	HCD2	125.3°	120.0°
CG	CD	HCD1	HCD2	118.7°	120.0°
CG	CD	NE	CZ	175.9°	180.0°
CG	CD	NE	HNE	58.9°	0.0°
HCG1	CG	CD	NE	54.7°	60.0°
HCG1	CG	CD	HCD1	180.0°	180.0°
HCG1	CG	CD	HCD2	70.6°	60.0°
HCG2	CG	CD	NE	54.8°	60.0°
HCG2	CG	CD	HCD1	70.4°	60.0°
HCG2	CG	CD	HCD2	179.8°	180.0°
NE	CD	HCD1	HCD2	118.8°	119.9°
CD	NE	CZ	HNE	125.2°	180.0°
CD	NE	CZ	NH1	162.1°	0.0°
CD	NE	CZ	NH2	0.3°	180.0°
HCD1	CD	NE	CZ	58.9°	60.0°
HCD1	CD	NE	HNE	66.4°	120.0°
HCD2	CD	NE	CZ	50.6°	60.0°
HCD2	CD	NE	HNE	175.8°	120.0°
NE	CZ	NH1	NH2	156.2°	180.0°
NE	CZ	NH1	HH1	90.5°	180.0°
NE	CZ	NH2	HH21	180.0°	180.0°
NE	CZ	NH2	HH22	54.7°	0.0°
HNE	NE	CZ	NH1	72.7°	180.0°
HNE	NE	CZ	NH2	124.9°	0.0°
NH1	CZ	NH2	HH21	22.4°	0.0°
NH1	CZ	NH2	HH22	102.9°	180.0°
NH2	CZ	NH1	HH1	65.7°	0.0°
CZ	NH2	HH21	HH22	125.4°	180.0°
O	C	C5	N5	153.6°	179.6°
O	C	C5	S5	26.3°	0.0°
N5	C5	S5	C	179.9°	179.7°
N5	C5	S5	C62	0.1°	0.3°
C5	N5	C61	C62	0.3°	0.6°
C5	N5	C61	C66	179.8°	179.7°
C61	N5	C5	S5	0.3°	0.6°
C61	N5	C5	C	179.8°	179.7°
N5	C61	C62	S5	0.1°	0.3°
N5	C61	C62	C66	179.9°	179.7°
N5	C61	C62	C63	180.0°	179.7°
N5	C61	C66	C65	179.9°	179.7°
N5	C61	C66	HC66	0.1°	0.3°
C5	S5	C62	C61	0.0°	0.0°
C5	S5	C62	C63	179.8°	180.0°
C	C5	S5	C62	179.9°	180.0°
S5	C62	C61	C63	179.8°	179.9°
S5	C62	C61	C66	179.9°	180.0°
S5	C62	C63	C64	179.8°	179.9°
S5	C62	C63	HC63	0.3°	0.1°
C61	C62	C63	C64	0.0°	0.0°
C61	C62	C63	HC63	180.0°	180.0°
C62	C61	C66	C65	0.2°	0.0°
C62	C61	C66	HC66	179.8°	180.0°
C66	C61	C62	C63	0.1°	0.0°
C61	C66	C65	C64	0.1°	0.0°
C61	C66	C65	HC66	179.9°	180.0°
C61	C66	C65	HC65	179.9°	179.9°
C62	C63	C64	HC63	179.9°	180.0°
C62	C63	C64	C65	0.0°	0.0°
C62	C63	C64	HC64	180.0°	179.9°
C63	C64	C65	HC64	180.0°	179.9°
C63	C64	C65	C66	0.0°	0.1°
C63	C64	C65	HC65	180.0°	179.9°
HC63	C63	C64	C65	179.9°	179.9°
HC63	C63	C64	HC64	0.0°	0.0°
C64	C65	C66	HC65	180.0°	179.8°
C64	C65	C66	HC66	179.8°	180.0°
HC64	C64	C65	C66	179.9°	180.0°
HC64	C64	C65	HC65	0.0°	0.2°
HC65	C65	C66	HC66	0.2°	0.1°
C1	C2	HC21	HC22	125.3°	120.0°
C1	C2	HC21	HC23	125.2°	120.1°
C1	C2	HC22	HC23	113.4°	120.0°
O2	C1	C2	HC21	2.6°	0.1°
O2	C1	C2	HC22	122.7°	120.0°
O2	C1	C2	HC23	127.8°	120.0°
HC21	C2	HC22	HC23	113.4°	120.0°

Definition date:	2002-12-17
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1NC6