TDM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1A	PA	doub	1.48Å	1.51Å
PA	O2A	sing	1.61Å	1.50Å
PA	O3A	sing	1.61Å	1.60Å
PA	O7	sing	1.61Å	1.58Å
O2A	H2A	sing	0.97Å	0.95Å
O3A	PB	sing	1.61Å	1.61Å
PB	O2B	sing	1.61Å	1.54Å
PB	O3B	sing	1.61Å	1.52Å
PB	O1B	doub	1.48Å	1.51Å
O2B	H2B	sing	0.97Å	0.95Å
O3B	H3B	sing	0.97Å	0.95Å
O7	C7	sing	1.43Å	1.43Å
C7	C6	sing	1.53Å	1.52Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C6	C5	sing	1.51Å	1.52Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C5	S1	sing	1.78Å	1.75Å
C5	C4	doub	1.33Å	1.41Å
S1	C2	sing	1.79Å	1.76Å
C2	C27	doub	1.33Å	1.51Å
C2	N3	sing	1.40Å	1.38Å
C27	C29	sing	1.51Å	1.50Å
C27	O28	sing	1.37Å	1.33Å
C29	H291	sing	1.09Å	1.10Å
C29	H292	sing	1.09Å	1.10Å
C29	H293	sing	1.09Å	1.10Å
O28	H28	sing	0.97Å	0.95Å
N3	C4	sing	1.37Å	1.38Å
N3	C7'	sing	1.46Å	1.48Å
C4	CM4	sing	1.51Å	1.52Å
CM4	HM41	sing	1.09Å	1.10Å
CM4	HM42	sing	1.09Å	1.10Å
CM4	HM43	sing	1.09Å	1.10Å
C7'	C5'	sing	1.51Å	1.55Å
C7'	H7'1	sing	1.09Å	1.10Å
C7'	H7'2	sing	1.09Å	1.10Å
C5'	C4'	doub	1.40Å	1.41Å	Aromatic
C5'	C6'	sing	1.38Å	1.41Å	Aromatic
C4'	N4'	sing	1.38Å	1.36Å
C4'	N3'	sing	1.33Å	1.36Å	Aromatic
N4'	H4'1	sing	0.97Å	1.00Å
N4'	H4'2	sing	0.97Å	1.00Å
N3'	C2'	doub	1.32Å	1.35Å	Aromatic
C2'	CM2	sing	1.51Å	1.50Å
C2'	N1'	sing	1.32Å	1.35Å	Aromatic
CM2	HM21	sing	1.09Å	1.10Å
CM2	HM22	sing	1.09Å	1.10Å
CM2	HM23	sing	1.09Å	1.10Å
N1'	C6'	doub	1.33Å	1.35Å	Aromatic
C6'	H6'	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1A	PA	O2A	117.5°	109.4°
O1A	PA	O3A	108.9°	109.5°
O1A	PA	O7	112.2°	109.5°
O2A	PA	O3A	106.2°	109.5°
O2A	PA	O7	107.1°	109.5°
PA	O2A	H2A	109.5°	106.8°
O3A	PA	O7	104.0°	109.5°
PA	O3A	PB	131.8°	106.8°
PA	O7	C7	119.9°	106.8°
O3A	PB	O2B	102.2°	109.5°
O3A	PB	O3B	109.9°	109.5°
O3A	PB	O1B	100.2°	109.5°
O2B	PB	O3B	113.1°	109.5°
O2B	PB	O1B	112.8°	109.5°
PB	O2B	H2B	109.5°	106.8°
O3B	PB	O1B	116.9°	109.4°
PB	O3B	H3B	109.5°	106.8°
O7	C7	C6	103.8°	109.5°
O7	C7	H71	112.6°	109.4°
O7	C7	H72	111.4°	109.4°
C6	C7	H71	112.6°	109.5°
C6	C7	H72	111.4°	109.5°
C7	C6	C5	113.9°	109.5°
C7	C6	H61	107.0°	109.4°
C7	C6	H62	108.0°	109.5°
H71	C7	H72	105.2°	109.5°
C5	C6	H61	107.1°	109.5°
C5	C6	H62	108.0°	109.5°
C6	C5	S1	116.7°	128.7°
C6	C5	C4	132.3°	128.7°
H61	C6	H62	113.0°	109.5°
S1	C5	C4	111.1°	102.6°
C5	S1	C2	90.2°	98.1°
C5	C4	N3	113.5°	120.5°
C5	C4	CM4	122.0°	119.8°
S1	C2	C27	115.6°	129.4°
S1	C2	N3	112.0°	101.2°
C27	C2	N3	132.4°	129.4°
C2	C27	C29	120.7°	120.0°
C2	C27	O28	122.6°	120.0°
C2	N3	C4	113.1°	117.7°
C2	N3	C7'	125.3°	121.1°
C29	C27	O28	116.6°	120.0°
C27	C29	H291	109.5°	109.5°
C27	C29	H292	109.5°	109.5°
C27	C29	H293	109.5°	109.5°
C27	O28	H28	109.5°	106.8°
H291	C29	H292	109.5°	109.4°
H291	C29	H293	109.4°	109.4°
H292	C29	H293	109.5°	109.5°
C4	N3	C7'	121.5°	121.2°
N3	C4	CM4	124.5°	119.7°
N3	C7'	C5'	107.6°	109.4°
N3	C7'	H7'1	110.5°	109.5°
N3	C7'	H7'2	110.1°	109.4°
C4	CM4	HM41	109.5°	109.5°
C4	CM4	HM42	109.5°	109.5°
C4	CM4	HM43	109.5°	109.5°
HM41	CM4	HM42	109.5°	109.4°
HM41	CM4	HM43	109.4°	109.4°
HM42	CM4	HM43	109.5°	109.5°
C5'	C7'	H7'1	110.5°	109.5°
C5'	C7'	H7'2	110.1°	109.5°
C7'	C5'	C4'	123.3°	120.8°
C7'	C5'	C6'	120.3°	120.8°
H7'1	C7'	H7'2	108.0°	109.5°
C4'	C5'	C6'	116.3°	118.3°
C5'	C4'	N4'	122.9°	120.5°
C5'	C4'	N3'	120.0°	118.9°
C5'	C6'	N1'	121.9°	119.2°
C5'	C6'	H6'	119.1°	120.4°
N4'	C4'	N3'	117.1°	120.6°
C4'	N4'	H4'1	109.5°	120.0°
C4'	N4'	H4'2	109.5°	120.0°
C4'	N3'	C2'	121.0°	120.7°
H4'1	N4'	H4'2	109.5°	120.0°
N3'	C2'	CM2	118.5°	119.1°
N3'	C2'	N1'	120.8°	121.8°
CM2	C2'	N1'	120.6°	119.1°
C2'	CM2	HM21	109.5°	109.4°
C2'	CM2	HM22	109.5°	109.5°
C2'	CM2	HM23	109.5°	109.5°
C2'	N1'	C6'	119.9°	121.0°
HM21	CM2	HM22	109.5°	109.4°
HM21	CM2	HM23	109.5°	109.5°
HM22	CM2	HM23	109.4°	109.5°
N1'	C6'	H6'	119.1°	120.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1A	PA	O2A	O3A	122.1°	120.0°
O1A	PA	O2A	O7	127.2°	120.0°
O1A	PA	O3A	O7	119.7°	120.0°
O1A	PA	O2A	H2A	122.4°	180.0°
O1A	PA	O3A	PB	34.8°	45.0°
O1A	PA	O7	C7	179.6°	55.0°
O2A	PA	O3A	O7	112.8°	120.0°
O2A	PA	O3A	PB	162.3°	75.0°
O2A	PA	O7	C7	50.1°	65.0°
O3A	PA	O2A	H2A	0.2°	60.0°
PA	O3A	PB	O2B	129.0°	80.0°
PA	O3A	PB	O3B	8.7°	160.0°
PA	O3A	PB	O1B	114.8°	40.0°
O3A	PA	O7	C7	62.1°	175.0°
O7	PA	O2A	H2A	110.4°	60.0°
O7	PA	O3A	PB	84.9°	165.0°
PA	O7	C7	C6	163.6°	180.0°
PA	O7	C7	H71	74.3°	60.0°
PA	O7	C7	H72	43.6°	60.0°
O3A	PB	O2B	O3B	118.0°	120.0°
O3A	PB	O2B	O1B	106.7°	120.0°
O3A	PB	O3B	O1B	113.2°	120.0°
O3A	PB	O2B	H2B	119.2°	60.0°
O3A	PB	O3B	H3B	75.1°	180.0°
O2B	PB	O3B	O1B	133.4°	120.0°
O2B	PB	O3B	H3B	171.4°	60.0°
O3B	PB	O2B	H2B	1.2°	60.0°
O1B	PB	O2B	H2B	134.1°	179.9°
O1B	PB	O3B	H3B	38.0°	60.0°
O7	C7	C6	H71	122.1°	119.9°
O7	C7	C6	H72	120.0°	120.0°
O7	C7	H71	H72	121.5°	120.0°
O7	C7	C6	C5	157.6°	180.0°
O7	C7	C6	H61	84.4°	60.0°
O7	C7	C6	H62	37.6°	60.0°
C6	C7	H71	H72	121.5°	120.1°
C7	C6	C5	H61	118.1°	120.0°
C7	C6	C5	H62	120.0°	120.0°
C7	C6	H61	H62	118.8°	120.0°
C7	C6	C5	S1	64.1°	85.0°
C7	C6	C5	C4	116.9°	95.0°
H71	C7	C6	C5	35.5°	60.0°
H71	C7	C6	H61	153.6°	179.9°
H71	C7	C6	H62	84.5°	60.0°
H72	C7	C6	C5	82.4°	60.0°
H72	C7	C6	H61	35.7°	60.0°
H72	C7	C6	H62	157.6°	180.0°
C5	C6	H61	H62	118.8°	120.0°
C6	C5	S1	C4	179.2°	179.9°
C6	C5	S1	C2	177.6°	180.0°
C6	C5	C4	N3	178.0°	179.7°
C6	C5	C4	CM4	1.0°	0.1°
H61	C6	C5	S1	54.0°	35.0°
H61	C6	C5	C4	125.0°	145.0°
H62	C6	C5	S1	175.9°	155.0°
H62	C6	C5	C4	3.1°	25.0°
C5	S1	C2	C27	178.5°	180.0°
C5	S1	C2	N3	1.9°	0.3°
S1	C5	C4	N3	1.0°	0.4°
S1	C5	C4	CM4	180.0°	180.0°
C4	C5	S1	C2	1.6°	0.0°
C5	C4	N3	C2	0.4°	0.6°
C5	C4	N3	CM4	179.0°	179.6°
C5	C4	N3	C7'	178.2°	180.0°
C5	C4	CM4	HM41	140.6°	2.1°
C5	C4	CM4	HM42	20.6°	117.9°
C5	C4	CM4	HM43	99.4°	122.1°
S1	C2	C27	N3	179.5°	179.7°
S1	C2	C27	C29	0.3°	7.4°
S1	C2	C27	O28	178.1°	172.7°
S1	C2	N3	C4	1.6°	0.5°
S1	C2	N3	C7'	176.9°	179.9°
C2	C27	C29	O28	178.5°	180.0°
C2	C27	C29	H291	157.4°	180.0°
C2	C27	C29	H292	37.4°	60.0°
C2	C27	C29	H293	82.7°	60.1°
C2	C27	O28	H28	145.0°	124.8°
C27	C2	N3	C4	178.8°	179.7°
C27	C2	N3	C7'	2.7°	0.3°
N3	C2	C27	C29	179.8°	172.3°
N3	C2	C27	O28	1.4°	7.7°
C2	N3	C4	C7'	178.6°	179.4°
C2	N3	C4	CM4	178.6°	179.8°
C2	N3	C7'	C5'	100.8°	112.3°
C2	N3	C7'	H7'1	20.0°	7.7°
C2	N3	C7'	H7'2	139.2°	127.8°
C27	C29	H291	H292	120.0°	120.1°
C27	C29	H291	H293	120.0°	120.0°
C27	C29	H292	H293	120.0°	120.0°
C29	C27	O28	H28	33.5°	55.2°
O28	C27	C29	H291	21.1°	0.0°
O28	C27	C29	H292	141.1°	120.0°
O28	C27	C29	H293	98.9°	120.0°
H291	C29	H292	H293	120.0°	120.0°
N3	C4	CM4	HM41	38.3°	178.3°
N3	C4	CM4	HM42	158.4°	61.7°
N3	C4	CM4	HM43	81.6°	58.3°
C4	N3	C7'	C5'	77.6°	68.4°
C4	N3	C7'	H7'1	161.6°	171.6°
C4	N3	C7'	H7'2	42.4°	51.6°
C7'	N3	C4	CM4	2.8°	0.4°
N3	C7'	C5'	H7'1	120.8°	120.0°
N3	C7'	C5'	H7'2	120.0°	120.0°
N3	C7'	H7'1	H7'2	120.5°	120.0°
N3	C7'	C5'	C4'	67.4°	64.3°
N3	C7'	C5'	C6'	112.6°	115.5°
C4	CM4	HM41	HM42	120.0°	120.0°
C4	CM4	HM41	HM43	120.0°	120.0°
C4	CM4	HM42	HM43	120.0°	120.1°
HM41	CM4	HM42	HM43	120.0°	119.9°
C5'	C7'	H7'1	H7'2	120.5°	120.1°
C7'	C5'	C4'	C6'	180.0°	179.8°
C7'	C5'	C4'	N4'	0.5°	0.2°
C7'	C5'	C4'	N3'	180.0°	179.7°
C7'	C5'	C6'	N1'	179.9°	180.0°
C7'	C5'	C6'	H6'	0.1°	0.0°
H7'1	C7'	C5'	C4'	53.3°	55.7°
H7'1	C7'	C5'	C6'	126.7°	124.5°
H7'2	C7'	C5'	C4'	172.6°	175.8°
H7'2	C7'	C5'	C6'	7.4°	4.5°
C5'	C4'	N4'	N3'	179.5°	179.5°
C5'	C4'	N4'	H4'1	117.5°	177.1°
C5'	C4'	N4'	H4'2	2.5°	2.9°
C5'	C4'	N3'	C2'	0.0°	0.4°
C4'	C5'	C6'	N1'	0.1°	0.2°
C4'	C5'	C6'	H6'	179.9°	179.8°
C6'	C5'	C4'	N4'	179.5°	180.0°
C6'	C5'	C4'	N3'	0.0°	0.5°
C5'	C6'	N1'	C2'	0.2°	0.0°
C5'	C6'	N1'	H6'	180.0°	179.9°
C4'	N4'	H4'1	H4'2	120.1°	180.0°
N4'	C4'	N3'	C2'	179.5°	180.0°
N3'	C4'	N4'	H4'1	63.0°	3.4°
N3'	C4'	N4'	H4'2	176.9°	176.6°
C4'	N3'	C2'	CM2	179.3°	179.8°
C4'	N3'	C2'	N1'	0.1°	0.2°
N3'	C2'	CM2	N1'	179.4°	180.0°
N3'	C2'	CM2	HM21	108.3°	90.0°
N3'	C2'	CM2	HM22	131.7°	30.0°
N3'	C2'	CM2	HM23	11.7°	150.0°
N3'	C2'	N1'	C6'	0.2°	0.0°
C2'	CM2	HM21	HM22	120.0°	120.0°
C2'	CM2	HM21	HM23	120.0°	120.0°
C2'	CM2	HM22	HM23	120.0°	120.1°
CM2	C2'	N1'	C6'	179.2°	180.0°
N1'	C2'	CM2	HM21	72.3°	90.0°
N1'	C2'	CM2	HM22	47.7°	150.0°
N1'	C2'	CM2	HM23	167.7°	30.0°
C2'	N1'	C6'	H6'	179.8°	179.9°
HM21	CM2	HM22	HM23	120.0°	120.0°

Definition date:	2005-12-01
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	2EZT