T5X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1A	PA	doub	1.48Å	1.49Å
O2B	PB	doub	1.48Å	1.50Å
PA	O7	sing	1.61Å	1.59Å
PA	O2A	sing	1.61Å	1.51Å
PA	O3A	sing	1.61Å	1.61Å
O7	C7	sing	1.43Å	1.42Å
PB	O1B	sing	1.61Å	1.52Å
PB	O3A	sing	1.61Å	1.62Å
PB	O3B	sing	1.61Å	1.50Å
C7	C6	sing	1.53Å	1.51Å
C6	C5	sing	1.51Å	1.50Å
CM4	C4	sing	1.51Å	1.51Å
C5	C4	doub	1.34Å	1.38Å	Aromatic
C5	S1	sing	1.76Å	1.79Å	Aromatic
C4	N3	sing	1.32Å	1.34Å	Aromatic
N1,	C6,	doub	1.33Å	1.34Å	Aromatic
N1,	C2,	sing	1.32Å	1.35Å	Aromatic
C6,	C5,	sing	1.38Å	1.39Å	Aromatic
S1	C2	sing	1.71Å	1.80Å	Aromatic
N3	C7,	sing	1.47Å	1.46Å
N3	C2	doub	1.29Å	1.35Å	Aromatic
CM2	C2,	sing	1.51Å	1.50Å
C2,	N3,	doub	1.32Å	1.34Å	Aromatic
C5,	C7,	sing	1.51Å	1.52Å
C5,	C4,	doub	1.40Å	1.41Å	Aromatic
C2	CX2	sing	1.51Å	1.51Å
N3,	C4,	sing	1.33Å	1.36Å	Aromatic
C4,	N4,	sing	1.39Å	1.35Å
OX3	CX3	sing	1.43Å	1.44Å
CX3	CX2	sing	1.53Å	1.55Å
CX3	CX4	sing	1.53Å	1.54Å
CX2	CX1	sing	1.53Å	1.53Å
CX2	OX2	sing	1.43Å	1.43Å
CX1	OX1	sing	1.43Å	1.44Å
CX5	CX4	sing	1.53Å	1.52Å
CX5	OX5	sing	1.43Å	1.43Å
OX7	PX	doub	1.48Å	1.51Å
CX4	OX4	sing	1.43Å	1.43Å
OX5	PX	sing	1.61Å	1.61Å
PX	OX8	sing	1.61Å	1.52Å
PX	OX6	sing	1.61Å	1.51Å
O2A	HO2A	sing	0.97Å	0.95Å
O3B	HO3B	sing	0.97Å	0.95Å
O1B	HO1B	sing	0.97Å	0.95Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
CX3	HX3	sing	1.09Å	1.10Å
CX4	HX4	sing	1.09Å	1.10Å
CX5	HX51	sing	1.09Å	1.10Å
CX5	HX52	sing	1.09Å	1.10Å
OX6	HOX6	sing	0.97Å	0.95Å
OX8	HOX8	sing	0.97Å	0.95Å
OX4	HOX4	sing	0.97Å	0.95Å
OX3	HOX3	sing	0.97Å	0.95Å
CX1	HX11	sing	1.09Å	1.10Å
CX1	HX12	sing	1.09Å	1.10Å
OX1	HOX1	sing	0.97Å	0.95Å
OX2	HOX2	sing	0.97Å	0.95Å
CM4	HM41	sing	1.09Å	1.10Å
CM4	HM42	sing	1.09Å	1.10Å
CM4	HM43	sing	1.09Å	1.10Å
C7,	H7,1	sing	1.09Å	1.10Å
C7,	H7,2	sing	1.09Å	1.10Å
N4,	H4,1	sing	0.97Å	1.00Å
N4,	H4,2	sing	0.97Å	1.00Å
CM2	HM21	sing	1.09Å	1.10Å
CM2	HM22	sing	1.09Å	1.10Å
CM2	HM23	sing	1.09Å	1.10Å
C6,	H6,	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1A	PA	O7	106.4°	109.5°
O1A	PA	O2A	118.4°	109.5°
O1A	PA	O3A	111.9°	109.5°
O2B	PB	O1B	109.8°	109.4°
O2B	PB	O3A	111.5°	109.5°
O2B	PB	O3B	113.2°	109.5°
O7	PA	O2A	108.7°	109.5°
O7	PA	O3A	103.2°	109.5°
PA	O7	C7	113.8°	123.0°
O2A	PA	O3A	107.1°	109.4°
PA	O2A	HO2A	109.5°	114.0°
PA	O3A	PB	132.3°	134.0°
O7	C7	C6	108.0°	109.5°
O7	C7	H71	109.9°	109.5°
O7	C7	H72	110.3°	109.5°
O1B	PB	O3A	103.4°	109.5°
O1B	PB	O3B	117.7°	109.5°
PB	O1B	HO1B	109.5°	114.0°
O3A	PB	O3B	100.4°	109.5°
PB	O3B	HO3B	109.5°	114.0°
C7	C6	C5	106.7°	109.5°
C6	C7	H71	110.0°	109.5°
C6	C7	H72	110.3°	109.5°
C7	C6	H61	110.4°	109.5°
C7	C6	H62	111.0°	109.5°
C6	C5	C4	126.7°	126.0°
C6	C5	S1	121.5°	126.1°
C5	C6	H61	110.4°	109.5°
C5	C6	H62	111.0°	109.4°
CM4	C4	C5	120.2°	122.8°
CM4	C4	N3	129.1°	122.7°
C4	CM4	HM41	109.5°	109.5°
C4	CM4	HM42	109.4°	109.5°
C4	CM4	HM43	109.5°	109.5°
C4	C5	S1	110.2°	108.0°
C5	C4	N3	110.3°	114.5°
C5	S1	C2	91.5°	90.3°
C4	N3	C7,	116.6°	121.4°
C4	N3	C2	123.0°	117.1°
C6,	N1,	C2,	121.8°	121.0°
N1,	C6,	C5,	119.3°	119.2°
N1,	C6,	H6,	120.4°	120.4°
N1,	C2,	CM2	119.5°	119.1°
N1,	C2,	N3,	120.9°	121.8°
C6,	C5,	C7,	117.4°	120.8°
C6,	C5,	C4,	118.1°	118.3°
C5,	C6,	H6,	120.3°	120.4°
S1	C2	N3	104.3°	110.2°
S1	C2	CX2	118.5°	124.9°
C7,	N3	C2	120.3°	121.4°
N3	C7,	C5,	115.4°	109.4°
N3	C7,	H7,1	107.5°	109.5°
N3	C7,	H7,2	106.2°	109.5°
N3	C2	CX2	134.7°	125.0°
CM2	C2,	N3,	119.6°	119.1°
C2,	CM2	HM21	109.5°	109.5°
C2,	CM2	HM22	109.5°	109.5°
C2,	CM2	HM23	109.4°	109.4°
C2,	N3,	C4,	119.8°	120.6°
C7,	C5,	C4,	124.5°	120.8°
C5,	C7,	H7,1	107.6°	109.4°
C5,	C7,	H7,2	106.2°	109.5°
C5,	C4,	N3,	120.3°	119.0°
C5,	C4,	N4,	123.1°	120.6°
C2	CX2	CX3	108.3°	109.5°
C2	CX2	CX1	110.7°	109.4°
C2	CX2	OX2	107.9°	109.4°
N3,	C4,	N4,	116.6°	120.5°
C4,	N4,	H4,1	109.5°	120.0°
C4,	N4,	H4,2	109.4°	120.0°
OX3	CX3	CX2	111.3°	109.5°
OX3	CX3	CX4	109.3°	109.5°
OX3	CX3	HX3	110.7°	109.4°
CX3	OX3	HOX3	109.5°	114.0°
CX2	CX3	CX4	115.4°	109.5°
CX3	CX2	CX1	113.2°	109.5°
CX3	CX2	OX2	109.2°	109.5°
CX2	CX3	HX3	103.8°	109.5°
CX3	CX4	CX5	111.2°	109.4°
CX3	CX4	OX4	111.5°	109.5°
CX4	CX3	HX3	106.1°	109.5°
CX3	CX4	HX4	106.3°	109.5°
CX1	CX2	OX2	107.4°	109.5°
CX2	CX1	OX1	112.2°	109.5°
CX2	CX1	HX11	108.6°	109.5°
CX2	CX1	HX12	107.9°	109.5°
CX2	OX2	HOX2	109.5°	114.0°
OX1	CX1	HX11	108.6°	109.5°
OX1	CX1	HX12	108.0°	109.4°
CX1	OX1	HOX1	109.5°	114.1°
CX4	CX5	OX5	109.4°	109.5°
CX5	CX4	OX4	107.5°	109.5°
CX5	CX4	HX4	110.4°	109.4°
CX4	CX5	HX51	109.5°	109.5°
CX4	CX5	HX52	109.5°	109.5°
CX5	OX5	PX	121.2°	123.0°
OX5	CX5	HX51	109.5°	109.4°
OX5	CX5	HX52	109.5°	109.4°
OX7	PX	OX5	106.3°	109.5°
OX7	PX	OX8	112.5°	109.4°
OX7	PX	OX6	114.3°	109.5°
OX4	CX4	HX4	110.0°	109.5°
CX4	OX4	HOX4	109.5°	114.0°
OX5	PX	OX8	105.0°	109.5°
OX5	PX	OX6	103.5°	109.5°
OX8	PX	OX6	114.0°	109.5°
PX	OX8	HOX8	109.5°	114.0°
PX	OX6	HOX6	109.5°	114.0°
H71	C7	H72	108.3°	109.5°
H61	C6	H62	107.4°	109.5°
HX51	CX5	HX52	109.4°	109.5°
HX11	CX1	HX12	111.7°	109.4°
HM41	CM4	HM42	109.4°	109.4°
HM41	CM4	HM43	109.5°	109.5°
HM42	CM4	HM43	109.5°	109.5°
H7,1	C7,	H7,2	114.2°	109.5°
H4,1	N4,	H4,2	109.5°	120.0°
HM21	CM2	HM22	109.5°	109.5°
HM21	CM2	HM23	109.5°	109.5°
HM22	CM2	HM23	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1A	PA	O7	O2A	128.6°	120.0°
O1A	PA	O7	O3A	118.0°	120.0°
O1A	PA	O2A	O3A	127.6°	120.0°
O1A	PA	O7	C7	167.8°	55.0°
O1A	PA	O3A	PB	23.0°	45.0°
O1A	PA	O2A	HO2A	5.6°	180.0°
O2B	PB	O3A	PA	38.4°	45.0°
O2B	PB	O1B	O3A	119.1°	120.0°
O2B	PB	O1B	O3B	131.4°	120.0°
O2B	PB	O3A	O3B	120.2°	120.0°
O2B	PB	O3B	HO3B	35.4°	180.0°
O2B	PB	O1B	HO1B	162.5°	60.0°
O7	PA	O2A	O3A	110.9°	120.0°
O7	PA	O3A	PB	91.1°	165.0°
PA	O7	C7	C6	176.9°	180.0°
O7	PA	O2A	HO2A	127.1°	60.0°
PA	O7	C7	H71	56.8°	60.0°
PA	O7	C7	H72	62.5°	59.9°
O2A	PA	O7	C7	39.2°	65.1°
O2A	PA	O3A	PB	154.3°	75.0°
O3A	PA	O7	C7	74.2°	175.0°
PA	O3A	PB	O1B	79.5°	165.0°
PA	O3A	PB	O3B	158.6°	75.0°
O3A	PA	O2A	HO2A	122.0°	60.0°
O7	C7	C6	H71	120.0°	120.0°
O7	C7	C6	H72	120.6°	120.0°
O7	C7	C6	C5	177.1°	180.0°
O7	C7	H71	H72	120.6°	120.0°
O7	C7	C6	H61	62.9°	60.0°
O7	C7	C6	H62	56.1°	60.0°
O1B	PB	O3A	O3B	121.9°	120.0°
O1B	PB	O3B	HO3B	165.2°	60.0°
O3A	PB	O3B	HO3B	83.6°	60.0°
O3A	PB	O1B	HO1B	78.4°	180.0°
O3B	PB	O1B	HO1B	31.1°	60.0°
C7	C6	C5	H61	120.0°	120.0°
C7	C6	C5	H62	121.1°	120.0°
C7	C6	C5	C4	138.1°	90.0°
C7	C6	C5	S1	57.9°	89.7°
C6	C7	H71	H72	120.6°	120.0°
C7	C6	H61	H62	121.1°	120.0°
C6	C5	C4	CM4	4.6°	0.0°
C6	C5	C4	S1	165.5°	179.7°
C6	C5	C4	N3	168.4°	179.8°
C6	C5	S1	C2	164.5°	180.0°
C5	C6	C7	H71	57.1°	60.0°
C5	C6	C7	H72	62.3°	60.0°
C5	C6	H61	H62	121.1°	120.0°
CM4	C4	C5	N3	173.1°	179.8°
CM4	C4	C5	S1	170.1°	179.7°
CM4	C4	N3	C7,	21.6°	0.1°
CM4	C4	N3	C2	163.1°	179.6°
C4	CM4	HM41	HM42	120.0°	120.0°
C4	CM4	HM41	HM43	120.0°	120.0°
C4	CM4	HM42	HM43	120.0°	120.0°
C4	C5	S1	C2	1.9°	0.3°
C5	C4	N3	C7,	166.1°	179.7°
C5	C4	N3	C2	9.2°	0.5°
C4	C5	C6	H61	18.1°	30.0°
C4	C5	C6	H62	100.8°	150.0°
C5	C4	CM4	HM41	160.3°	98.3°
C5	C4	CM4	HM42	40.3°	141.8°
C5	C4	CM4	HM43	79.7°	21.7°
S1	C5	C4	N3	3.0°	0.5°
C5	S1	C2	N3	6.0°	0.0°
C5	S1	C2	CX2	158.6°	180.0°
S1	C5	C6	H61	177.9°	150.3°
S1	C5	C6	H62	63.2°	30.3°
C4	N3	C2	S1	10.1°	0.3°
C4	N3	C7,	C2	175.4°	179.7°
C4	N3	C7,	C5,	74.6°	59.0°
C4	N3	C2	CX2	150.7°	179.7°
N3	C4	CM4	HM41	28.1°	81.5°
N3	C4	CM4	HM42	148.1°	38.4°
N3	C4	CM4	HM43	91.9°	158.5°
C4	N3	C7,	H7,1	45.4°	61.0°
C4	N3	C7,	H7,2	168.0°	178.9°
N1,	C6,	C5,	H6,	180.0°	179.6°
C6,	N1,	C2,	CM2	179.4°	179.8°
C6,	N1,	C2,	N3,	0.1°	0.2°
N1,	C6,	C5,	C7,	178.8°	179.8°
N1,	C6,	C5,	C4,	0.1°	0.5°
C2,	N1,	C6,	C5,	0.3°	0.5°
N1,	C2,	CM2	N3,	179.3°	179.9°
N1,	C2,	N3,	C4,	0.5°	0.1°
N1,	C2,	CM2	HM21	125.9°	90.0°
N1,	C2,	CM2	HM22	114.1°	30.1°
N1,	C2,	CM2	HM23	5.9°	150.1°
C2,	N1,	C6,	H6,	179.7°	180.0°
C6,	C5,	C7,	N3	116.3°	71.0°
C6,	C5,	C7,	C4,	178.6°	179.7°
C6,	C5,	C4,	N3,	0.7°	0.2°
C6,	C5,	C4,	N4,	179.3°	179.7°
C6,	C5,	C7,	H7,1	3.7°	169.0°
C6,	C5,	C7,	H7,2	126.3°	49.0°
S1	C2	N3	C7,	165.0°	180.0°
S1	C2	N3	CX2	160.8°	180.0°
S1	C2	CX2	CX3	82.8°	6.3°
S1	C2	CX2	CX1	41.9°	113.8°
S1	C2	CX2	OX2	159.2°	126.3°
N3	C7,	C5,	H7,1	120.0°	120.0°
N3	C7,	C5,	H7,2	117.4°	120.0°
N3	C7,	C5,	C4,	65.1°	109.3°
C7,	N3	C2	CX2	34.2°	0.0°
N3	C7,	H7,1	H7,2	117.6°	120.0°
C2	N3	C7,	C5,	100.8°	120.7°
N3	C2	CX2	CX3	76.0°	173.7°
N3	C2	CX2	CX1	159.3°	66.2°
N3	C2	CX2	OX2	42.1°	53.7°
C2	N3	C7,	H7,1	139.2°	119.3°
C2	N3	C7,	H7,2	16.5°	0.8°
CM2	C2,	N3,	C4,	178.8°	180.0°
C2,	CM2	HM21	HM22	120.0°	120.0°
C2,	CM2	HM21	HM23	120.0°	120.0°
C2,	CM2	HM22	HM23	120.0°	120.0°
C2,	N3,	C4,	C5,	0.9°	0.1°
C2,	N3,	C4,	N4,	179.1°	180.0°
N3,	C2,	CM2	HM21	53.4°	90.0°
N3,	C2,	CM2	HM22	66.6°	150.0°
N3,	C2,	CM2	HM23	173.4°	30.0°
C7,	C5,	C4,	N3,	179.3°	179.9°
C7,	C5,	C4,	N4,	0.7°	0.0°
C5,	C7,	H7,1	H7,2	117.6°	120.0°
C7,	C5,	C6,	H6,	1.2°	0.3°
C5,	C4,	N3,	N4,	180.0°	179.9°
C4,	C5,	C7,	H7,1	174.9°	10.6°
C4,	C5,	C7,	H7,2	52.3°	130.7°
C5,	C4,	N4,	H4,1	63.0°	9.7°
C5,	C4,	N4,	H4,2	177.0°	170.3°
C4,	C5,	C6,	H6,	179.9°	180.0°
C2	CX2	CX3	OX3	75.7°	65.2°
C2	CX2	CX3	CX1	123.2°	120.0°
C2	CX2	CX3	OX2	117.2°	120.0°
C2	CX2	CX3	CX4	159.0°	174.8°
C2	CX2	CX1	OX2	117.5°	119.9°
C2	CX2	CX1	OX1	70.0°	57.6°
C2	CX2	CX3	HX3	43.4°	54.8°
C2	CX2	CX1	HX11	170.1°	62.5°
C2	CX2	CX1	HX12	48.9°	177.6°
C2	CX2	OX2	HOX2	163.8°	60.0°
N3,	C4,	N4,	H4,1	117.0°	170.3°
N3,	C4,	N4,	H4,2	3.0°	9.7°
C4,	N4,	H4,1	H4,2	120.0°	180.0°
OX3	CX3	CX2	CX4	125.3°	120.0°
OX3	CX3	CX2	HX3	119.1°	120.0°
OX3	CX3	CX4	HX3	119.3°	120.0°
OX3	CX3	CX2	CX1	47.5°	54.8°
OX3	CX3	CX2	OX2	167.1°	174.8°
OX3	CX3	CX4	CX5	66.9°	65.3°
OX3	CX3	CX4	OX4	53.0°	54.7°
OX3	CX3	CX4	HX4	172.9°	174.8°
CX2	CX3	CX4	HX3	114.3°	120.0°
CX3	CX2	CX1	OX2	120.6°	120.0°
CX3	CX2	CX1	OX1	168.2°	62.4°
CX2	CX3	CX4	CX5	166.7°	174.7°
CX2	CX3	CX4	OX4	73.3°	65.3°
CX2	CX3	CX4	HX4	46.6°	54.7°
CX2	CX3	OX3	HOX3	84.4°	68.8°
CX3	CX2	CX1	HX11	48.2°	177.5°
CX3	CX2	CX1	HX12	73.0°	57.6°
CX3	CX2	OX2	HOX2	78.7°	60.0°
CX4	CX3	CX2	CX1	77.8°	65.2°
CX4	CX3	CX2	OX2	41.8°	54.8°
CX3	CX4	CX5	OX4	122.3°	120.0°
CX3	CX4	CX5	HX4	117.7°	120.0°
CX3	CX4	CX5	OX5	166.3°	175.0°
CX3	CX4	OX4	HX4	117.7°	120.0°
CX3	CX4	CX5	HX51	46.3°	55.1°
CX3	CX4	CX5	HX52	73.7°	65.0°
CX3	CX4	OX4	HOX4	51.9°	60.0°
CX4	CX3	OX3	HOX3	146.9°	51.2°
CX2	CX1	OX1	HX11	120.0°	120.1°
CX2	CX1	OX1	HX12	118.8°	120.0°
CX1	CX2	CX3	HX3	166.5°	174.8°
CX2	CX1	HX11	HX12	118.9°	120.0°
CX2	CX1	OX1	HOX1	77.2°	180.0°
CX1	CX2	OX2	HOX2	44.4°	180.0°
OX2	CX2	CX1	OX1	47.6°	177.5°
OX2	CX2	CX3	HX3	73.9°	65.2°
OX2	CX2	CX1	HX11	72.4°	57.5°
OX2	CX2	CX1	HX12	166.4°	62.5°
OX1	CX1	HX11	HX12	118.9°	119.9°
CX4	CX5	OX5	HX51	120.0°	120.0°
CX4	CX5	OX5	HX52	120.0°	120.0°
CX5	CX4	OX4	HX4	120.2°	120.0°
CX4	CX5	OX5	PX	161.4°	180.0°
CX5	CX4	CX3	HX3	52.4°	54.7°
CX4	CX5	HX51	HX52	120.0°	120.1°
CX5	CX4	OX4	HOX4	70.2°	60.0°
CX5	OX5	PX	OX7	50.9°	55.0°
OX5	CX5	CX4	OX4	71.4°	65.0°
CX5	OX5	PX	OX8	68.5°	174.9°
CX5	OX5	PX	OX6	171.7°	65.0°
OX5	CX5	CX4	HX4	48.6°	55.0°
OX5	CX5	HX51	HX52	120.0°	119.9°
OX7	PX	OX5	OX8	119.4°	120.0°
OX7	PX	OX5	OX6	120.7°	120.0°
OX7	PX	OX8	OX6	132.2°	120.0°
OX7	PX	OX6	HOX6	128.5°	180.0°
OX7	PX	OX8	HOX8	27.7°	60.0°
OX4	CX4	CX3	HX3	172.4°	174.7°
OX4	CX4	CX5	HX51	168.6°	175.1°
OX4	CX4	CX5	HX52	48.6°	55.0°
OX5	PX	OX8	OX6	112.6°	120.0°
PX	OX5	CX5	HX51	78.6°	60.0°
PX	OX5	CX5	HX52	41.4°	60.0°
OX5	PX	OX6	HOX6	116.3°	60.0°
OX5	PX	OX8	HOX8	87.5°	180.0°
OX8	PX	OX6	HOX6	2.8°	60.0°
OX6	PX	OX8	HOX8	159.9°	60.0°
H71	C7	C6	H61	177.1°	180.0°
H71	C7	C6	H62	63.9°	60.0°
H72	C7	C6	H61	57.7°	60.0°
H72	C7	C6	H62	176.7°	NaN°
HX3	CX3	CX4	HX4	67.7°	65.3°
HX3	CX3	OX3	HOX3	30.4°	171.2°
HX4	CX4	CX5	HX51	71.4°	64.9°
HX4	CX4	CX5	HX52	168.6°	175.0°
HX4	CX4	OX4	HOX4	169.6°	180.0°
HX11	CX1	OX1	HOX1	162.9°	60.0°
HX12	CX1	OX1	HOX1	41.7°	59.9°
HM41	CM4	HM42	HM43	120.0°	120.0°
HM21	CM2	HM22	HM23	120.0°	120.0°

Definition date:	2007-10-25
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2R8O