TD6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	S1	sing	1.71Å	1.63Å	Aromatic
S1	C5	sing	1.76Å	1.67Å	Aromatic
C11	C2	sing	1.51Å	1.55Å
C2	N3	doub	1.29Å	1.49Å	Aromatic
C7'	N3	sing	1.46Å	1.48Å
N3	C4	sing	1.32Å	1.39Å	Aromatic
C4	C5	doub	1.34Å	1.40Å	Aromatic
C4	CM4	sing	1.51Å	1.50Å
C5	C6	sing	1.51Å	1.50Å
C6	C7	sing	1.53Å	1.51Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	O7	sing	1.43Å	1.45Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
O7	PA	sing	1.61Å	1.63Å
O3A	PA	sing	1.61Å	1.54Å
O1A	PA	doub	1.48Å	1.48Å
PA	O2A	sing	1.61Å	1.53Å
O2B	PB	doub	1.48Å	1.52Å
O3B	PB	sing	1.61Å	1.51Å
PB	O3A	sing	1.61Å	1.56Å
PB	O1B	sing	1.61Å	1.51Å
C2'	N1'	doub	1.32Å	1.34Å	Aromatic
N1'	C6'	sing	1.33Å	1.34Å	Aromatic
OL1	C11	sing	1.43Å	1.43Å
C11	CLB	sing	1.53Å	1.53Å
C11	H11	sing	1.09Å	1.10Å
CLB	C13	sing	1.53Å	1.53Å
CLC	C13	sing	1.51Å	1.50Å
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
O1B	HO1B	sing	0.97Å	0.95Å
N3'	C2'	sing	1.32Å	1.34Å	Aromatic
CM2	C2'	sing	1.51Å	1.50Å
O2A	HO2A	sing	0.97Å	0.95Å
N3'	C4'	doub	1.33Å	1.35Å	Aromatic
O3B	HO3B	sing	0.97Å	0.95Å
N4'	C4'	sing	1.38Å	1.33Å
C4'	C5'	sing	1.40Å	1.43Å	Aromatic
N4'	HN4'	sing	0.97Å	1.00Å
N4'	HN4A	sing	0.97Å	1.00Å
C5'	C7'	sing	1.51Å	1.51Å
C5'	C6'	doub	1.38Å	1.37Å	Aromatic
C6'	H6'	sing	1.08Å	1.08Å
C7'	H7'	sing	1.09Å	1.10Å
C7'	H7'A	sing	1.09Å	1.10Å
OL1	HOL1	sing	0.97Å	0.95Å
CLC	OL2	sing	1.34Å	1.22Å
OL2	HOL2	sing	0.97Å	0.95Å
OL3	CLC	doub	1.21Å	1.30Å
CLB	HLB	sing	1.09Å	1.10Å
CLB	HLBA	sing	1.09Å	1.10Å
CM2	HM2	sing	1.09Å	1.10Å
CM2	HM2A	sing	1.09Å	1.10Å
CM2	HM2B	sing	1.09Å	1.10Å
CM4	HM4	sing	1.09Å	1.10Å
CM4	HM4A	sing	1.09Å	1.10Å
CM4	HM4B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	S1	C5	94.5°	90.3°
S1	C2	C11	122.5°	124.9°
S1	C2	N3	111.6°	110.2°
S1	C5	C4	112.0°	107.9°
S1	C5	C6	123.2°	126.1°
C11	C2	N3	124.9°	124.9°
C2	C11	OL1	113.5°	109.4°
C2	C11	CLB	111.6°	109.5°
C2	C11	H11	107.4°	109.5°
C2	N3	C7'	122.7°	121.5°
C2	N3	C4	108.9°	117.1°
C7'	N3	C4	128.4°	121.5°
N3	C7'	C5'	114.0°	109.5°
N3	C7'	H7'	108.3°	109.5°
N3	C7'	H7'A	108.3°	109.5°
N3	C4	C5	112.9°	114.5°
N3	C4	CM4	122.1°	122.7°
C5	C4	CM4	124.6°	122.7°
C4	C5	C6	124.5°	126.0°
C4	CM4	HM4	109.5°	109.5°
C4	CM4	HM4A	109.4°	109.4°
C4	CM4	HM4B	109.5°	109.4°
C5	C6	C7	108.0°	109.5°
C5	C6	H6	109.8°	109.5°
C5	C6	H6A	109.8°	109.5°
C7	C6	H6	109.8°	109.4°
C7	C6	H6A	109.8°	109.5°
C6	C7	O7	112.5°	109.5°
C6	C7	H7	108.7°	109.4°
C6	C7	H7A	108.7°	109.5°
H6	C6	H6A	109.5°	109.5°
O7	C7	H7	108.7°	109.5°
O7	C7	H7A	108.7°	109.5°
C7	O7	PA	115.2°	123.0°
H7	C7	H7A	109.5°	109.5°
O7	PA	O3A	100.9°	109.5°
O7	PA	O1A	118.3°	109.4°
O7	PA	O2A	102.7°	109.5°
O3A	PA	O1A	119.0°	109.5°
O3A	PA	O2A	97.9°	109.5°
PA	O3A	PB	156.6°	134.0°
O1A	PA	O2A	114.9°	109.5°
PA	O2A	HO2A	109.5°	114.1°
O2B	PB	O3B	118.6°	109.5°
O2B	PB	O3A	99.1°	109.5°
O2B	PB	O1B	109.3°	109.4°
O3B	PB	O3A	115.4°	109.5°
O3B	PB	O1B	114.4°	109.5°
PB	O3B	HO3B	109.5°	114.0°
O3A	PB	O1B	97.1°	109.5°
PB	O1B	HO1B	109.5°	114.0°
C2'	N1'	C6'	116.1°	121.0°
N1'	C2'	N3'	125.6°	121.8°
N1'	C2'	CM2	117.3°	119.1°
N1'	C6'	C5'	124.4°	119.3°
N1'	C6'	H6'	117.8°	120.4°
OL1	C11	CLB	107.4°	109.5°
OL1	C11	H11	109.0°	109.4°
C11	OL1	HOL1	109.5°	114.0°
CLB	C11	H11	107.7°	109.5°
C11	CLB	C13	116.6°	109.5°
C11	CLB	HLB	107.6°	109.5°
C11	CLB	HLBA	107.6°	109.5°
CLB	C13	CLC	114.3°	109.4°
CLB	C13	H13	108.2°	109.4°
CLB	C13	H13A	108.2°	109.5°
C13	CLB	HLB	107.7°	109.5°
C13	CLB	HLBA	107.7°	109.5°
CLC	C13	H13	108.3°	109.5°
CLC	C13	H13A	108.2°	109.5°
C13	CLC	OL2	123.6°	120.0°
C13	CLC	OL3	112.7°	120.0°
H13	C13	H13A	109.5°	109.5°
N3'	C2'	CM2	117.2°	119.1°
C2'	N3'	C4'	117.9°	120.7°
C2'	CM2	HM2	109.5°	109.5°
C2'	CM2	HM2A	109.5°	109.5°
C2'	CM2	HM2B	109.4°	109.5°
N3'	C4'	N4'	116.8°	120.5°
N3'	C4'	C5'	120.9°	118.9°
N4'	C4'	C5'	122.2°	120.5°
C4'	N4'	HN4'	109.5°	120.0°
C4'	N4'	HN4A	109.5°	120.0°
C4'	C5'	C7'	126.5°	120.8°
C4'	C5'	C6'	115.1°	118.3°
HN4'	N4'	HN4A	109.4°	119.9°
C7'	C5'	C6'	118.3°	120.8°
C5'	C7'	H7'	108.3°	109.5°
C5'	C7'	H7'A	108.4°	109.5°
C5'	C6'	H6'	117.8°	120.4°
H7'	C7'	H7'A	109.5°	109.4°
CLC	OL2	HOL2	109.5°	117.0°
OL2	CLC	OL3	123.7°	120.0°
HLB	CLB	HLBA	109.5°	109.5°
HM2	CM2	HM2A	109.5°	109.5°
HM2	CM2	HM2B	109.5°	109.4°
HM2A	CM2	HM2B	109.5°	109.4°
HM4	CM4	HM4A	109.5°	109.5°
HM4	CM4	HM4B	109.5°	109.5°
HM4A	CM4	HM4B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C2	C11	N3	167.6°	180.0°
S1	C2	N3	C7'	174.2°	180.0°
S1	C2	N3	C4	4.2°	0.0°
C2	S1	C5	C4	2.0°	0.0°
C2	S1	C5	C6	172.5°	180.0°
S1	C2	C11	OL1	135.4°	45.0°
S1	C2	C11	CLB	103.0°	75.0°
S1	C2	C11	H11	14.9°	164.9°
C5	S1	C2	C11	165.6°	180.0°
C5	S1	C2	N3	3.5°	0.0°
S1	C5	C4	N3	0.3°	0.0°
S1	C5	C4	C6	174.4°	180.0°
S1	C5	C4	CM4	172.5°	180.0°
S1	C5	C6	C7	73.2°	90.0°
S1	C5	C6	H6	46.6°	30.0°
S1	C5	C6	H6A	167.0°	150.0°
C11	C2	N3	C7'	17.0°	0.0°
C11	C2	N3	C4	164.6°	180.0°
C2	C11	OL1	CLB	123.9°	120.0°
C2	C11	OL1	H11	119.7°	120.0°
C2	C11	CLB	H11	117.7°	120.0°
C2	C11	CLB	C13	72.8°	175.0°
C2	C11	OL1	HOL1	180.0°	60.0°
C2	C11	CLB	HLB	166.1°	65.0°
C2	C11	CLB	HLBA	48.2°	55.0°
C2	N3	C7'	C4	178.0°	180.0°
C2	N3	C4	C5	2.8°	0.0°
C2	N3	C4	CM4	170.2°	180.0°
N3	C2	C11	OL1	56.9°	135.0°
N3	C2	C11	CLB	64.6°	105.0°
N3	C2	C11	H11	177.5°	15.0°
C2	N3	C7'	C5'	109.7°	87.3°
C2	N3	C7'	H7'	129.7°	32.7°
C2	N3	C7'	H7'A	11.0°	152.7°
C7'	N3	C4	C5	175.5°	180.0°
C7'	N3	C4	CM4	11.5°	0.0°
N3	C7'	C5'	C4'	66.2°	174.5°
N3	C7'	C5'	H7'	120.7°	120.0°
N3	C7'	C5'	H7'A	120.7°	120.0°
N3	C7'	C5'	C6'	111.4°	5.6°
N3	C7'	H7'	H7'A	117.9°	120.0°
N3	C4	C5	CM4	172.8°	180.0°
N3	C4	C5	C6	174.7°	180.0°
C4	N3	C7'	C5'	68.4°	92.7°
C4	N3	C7'	H7'	52.3°	147.3°
C4	N3	C7'	H7'A	170.9°	27.3°
N3	C4	CM4	HM4	93.7°	89.5°
N3	C4	CM4	HM4A	146.3°	150.4°
N3	C4	CM4	HM4B	26.3°	30.5°
C4	C5	C6	C7	113.1°	90.1°
C4	C5	C6	H6	127.2°	150.0°
C4	C5	C6	H6A	6.7°	30.0°
C5	C4	CM4	HM4	94.1°	90.4°
C5	C4	CM4	HM4A	25.9°	29.6°
C5	C4	CM4	HM4B	145.9°	149.6°
CM4	C4	C5	C6	1.9°	0.0°
C4	CM4	HM4	HM4A	120.0°	120.0°
C4	CM4	HM4	HM4B	120.0°	120.0°
C4	CM4	HM4A	HM4B	120.0°	119.9°
C5	C6	C7	H6	119.8°	120.0°
C5	C6	C7	H6A	119.8°	120.0°
C5	C6	H6	H6A	120.7°	120.0°
C5	C6	C7	O7	170.9°	180.0°
C5	C6	C7	H7	50.4°	60.0°
C5	C6	C7	H7A	68.7°	60.0°
C7	C6	H6	H6A	120.7°	120.0°
C6	C7	O7	H7	120.4°	120.0°
C6	C7	O7	H7A	120.4°	120.0°
C6	C7	H7	H7A	118.6°	120.0°
C6	C7	O7	PA	177.6°	180.0°
H6	C6	C7	O7	69.3°	60.0°
H6	C6	C7	H7	170.2°	NaN°
H6	C6	C7	H7A	51.1°	60.0°
H6A	C6	C7	O7	51.1°	60.0°
H6A	C6	C7	H7	69.3°	60.0°
H6A	C6	C7	H7A	171.5°	180.0°
O7	C7	H7	H7A	118.6°	120.0°
C7	O7	PA	O3A	65.7°	175.0°
C7	O7	PA	O1A	65.8°	55.0°
C7	O7	PA	O2A	166.5°	65.0°
H7	C7	O7	PA	62.0°	60.0°
H7A	C7	O7	PA	57.1°	60.1°
O7	PA	O3A	O1A	131.1°	120.0°
O7	PA	O3A	O2A	104.6°	120.0°
O7	PA	O1A	O2A	121.7°	120.0°
O7	PA	O3A	PB	63.7°	160.0°
O7	PA	O2A	HO2A	129.8°	60.0°
O3A	PA	O1A	O2A	115.5°	120.0°
PA	O3A	PB	O2B	90.4°	40.0°
PA	O3A	PB	O3B	141.8°	80.0°
PA	O3A	PB	O1B	20.5°	160.0°
O3A	PA	O2A	HO2A	127.1°	60.0°
O1A	PA	O3A	PB	165.2°	40.0°
O1A	PA	O2A	HO2A	0.0°	180.0°
O2A	PA	O3A	PB	40.9°	80.0°
O2B	PB	O3B	O3A	117.2°	120.0°
O2B	PB	O3B	O1B	131.4°	120.0°
O2B	PB	O3A	O1B	110.9°	120.0°
O2B	PB	O1B	HO1B	0.0°	60.0°
O2B	PB	O3B	HO3B	0.0°	180.0°
O3B	PB	O3A	O1B	121.3°	120.0°
O3B	PB	O1B	HO1B	135.8°	60.0°
O3A	PB	O1B	HO1B	102.2°	180.0°
O3A	PB	O3B	HO3B	117.2°	60.0°
O1B	PB	O3B	HO3B	131.4°	60.0°
N1'	C2'	N3'	CM2	179.5°	179.9°
N1'	C2'	N3'	C4'	0.2°	0.0°
C2'	N1'	C6'	C5'	0.1°	0.1°
C2'	N1'	C6'	H6'	179.9°	180.0°
N1'	C2'	CM2	HM2	0.0°	89.9°
N1'	C2'	CM2	HM2A	120.0°	150.0°
N1'	C2'	CM2	HM2B	120.0°	30.1°
C6'	N1'	C2'	N3'	0.4°	0.1°
C6'	N1'	C2'	CM2	179.1°	180.0°
N1'	C6'	C5'	C4'	1.1°	0.1°
N1'	C6'	C5'	C7'	176.8°	180.0°
N1'	C6'	C5'	H6'	180.0°	179.9°
OL1	C11	CLB	H11	117.3°	120.0°
OL1	C11	CLB	C13	162.1°	65.0°
OL1	C11	CLB	HLB	41.1°	55.0°
OL1	C11	CLB	HLBA	76.8°	175.0°
C11	CLB	C13	HLB	121.0°	120.0°
C11	CLB	C13	HLBA	121.0°	120.0°
C11	CLB	C13	CLC	66.5°	180.0°
C11	CLB	C13	H13	172.8°	60.0°
C11	CLB	C13	H13A	54.2°	60.0°
CLB	C11	OL1	HOL1	56.1°	60.0°
C11	CLB	HLB	HLBA	116.7°	120.0°
H11	C11	CLB	C13	44.9°	55.0°
H11	C11	OL1	HOL1	60.3°	180.0°
H11	C11	CLB	HLB	76.2°	175.0°
H11	C11	CLB	HLBA	165.9°	65.0°
CLB	C13	CLC	H13	120.7°	120.0°
CLB	C13	CLC	H13A	120.7°	120.0°
CLB	C13	H13	H13A	117.8°	120.0°
CLB	C13	CLC	OL2	78.9°	180.0°
CLB	C13	CLC	OL3	101.6°	0.0°
C13	CLB	HLB	HLBA	116.8°	120.0°
CLC	C13	H13	H13A	117.8°	120.1°
C13	CLC	OL2	OL3	179.4°	179.9°
C13	CLC	OL2	HOL2	179.4°	180.0°
CLC	C13	CLB	HLB	54.5°	60.0°
CLC	C13	CLB	HLBA	172.5°	60.0°
H13	C13	CLC	OL2	160.4°	60.0°
H13	C13	CLC	OL3	19.1°	119.9°
H13	C13	CLB	HLB	66.2°	180.0°
H13	C13	CLB	HLBA	51.8°	60.0°
H13A	C13	CLC	OL2	41.8°	60.1°
H13A	C13	CLC	OL3	137.7°	120.0°
H13A	C13	CLB	HLB	175.2°	60.0°
H13A	C13	CLB	HLBA	66.8°	180.0°
C2'	N3'	C4'	N4'	176.3°	180.0°
C2'	N3'	C4'	C5'	1.3°	0.0°
N3'	C2'	CM2	HM2	179.6°	90.0°
N3'	C2'	CM2	HM2A	60.4°	30.0°
N3'	C2'	CM2	HM2B	59.5°	150.0°
CM2	C2'	N3'	C4'	179.7°	180.0°
C2'	CM2	HM2	HM2A	120.0°	120.1°
C2'	CM2	HM2	HM2B	120.0°	120.0°
C2'	CM2	HM2A	HM2B	120.0°	120.0°
N3'	C4'	N4'	C5'	177.6°	179.9°
N3'	C4'	N4'	HN4'	0.0°	6.3°
N3'	C4'	N4'	HN4A	120.0°	173.7°
N3'	C4'	C5'	C7'	176.0°	180.0°
N3'	C4'	C5'	C6'	1.7°	0.1°
C4'	N4'	HN4'	HN4A	120.0°	179.9°
N4'	C4'	C5'	C7'	6.6°	0.1°
N4'	C4'	C5'	C6'	175.8°	180.0°
C5'	C4'	N4'	HN4'	177.6°	173.6°
C5'	C4'	N4'	HN4A	57.6°	6.4°
C4'	C5'	C7'	C6'	177.6°	179.9°
C4'	C5'	C6'	H6'	178.9°	180.0°
C4'	C5'	C7'	H7'	173.1°	54.5°
C4'	C5'	C7'	H7'A	54.5°	65.5°
C7'	C5'	C6'	H6'	3.2°	0.1°
C5'	C7'	H7'	H7'A	118.0°	120.0°
C6'	C5'	C7'	H7'	9.3°	125.6°
C6'	C5'	C7'	H7'A	127.9°	114.4°
HOL2	OL2	CLC	OL3	0.0°	0.1°
HM2	CM2	HM2A	HM2B	120.0°	119.9°
HM4	CM4	HM4A	HM4B	120.0°	120.1°

Release date:	2013-11-13
Definition date:	2013-02-08
Last modified:	2013-11-08
Release status:	REL
Processing site:	EBI
Derived from:	3ZHS