45A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C31	P	sing	1.82Å	1.74Å
O3'	C3'	sing	1.43Å	1.40Å
C5'	C4'	sing	1.53Å	1.53Å
C5'	O5'	sing	1.43Å	1.42Å
C3'	C4'	sing	1.54Å	1.50Å
C3'	C2'	sing	1.55Å	1.50Å
C4'	O4'	sing	1.44Å	1.40Å
P	O5'	sing	1.61Å	1.56Å
P	OP2	doub	1.48Å	1.46Å
O2'	C2'	sing	1.43Å	1.38Å
C2'	C1'	sing	1.55Å	1.48Å
O4'	C1'	sing	1.44Å	1.40Å
C1'	N9	sing	1.47Å	1.45Å
C8	N9	sing	1.36Å	1.29Å	Aromatic
C8	N7	doub	1.30Å	1.35Å	Aromatic
N9	C4	sing	1.37Å	1.34Å	Aromatic
N7	C5	sing	1.35Å	1.47Å	Aromatic
C4	N3	doub	1.33Å	1.35Å	Aromatic
C4	C5	sing	1.41Å	1.43Å	Aromatic
N3	C2	sing	1.32Å	1.35Å	Aromatic
C5	C6	doub	1.40Å	1.39Å	Aromatic
C2	N1	doub	1.32Å	1.32Å	Aromatic
C6	N1	sing	1.33Å	1.29Å	Aromatic
C6	N6	sing	1.38Å	1.41Å
P	O1	sing	1.61Å	1.60Å
C4'	H4'	sing	1.09Å	1.10Å
C3'	H3'	sing	1.09Å	1.10Å
C2'	H2'	sing	1.09Å	1.10Å
O3'	H1	sing	0.97Å	0.95Å
C1'	H1'	sing	1.09Å	1.10Å
C2	H2	sing	1.08Å	1.08Å
C31	H32	sing	1.09Å	1.10Å
C31	H33	sing	1.09Å	1.10Å
C31	H31	sing	1.09Å	1.10Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
O2'	HO2'	sing	0.97Å	0.95Å
C8	H8	sing	1.08Å	1.08Å
N6	H61	sing	0.97Å	1.00Å
N6	H62	sing	0.97Å	1.00Å
O1	H3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C31	P	O5'	107.9°	109.5°
C31	P	OP2	116.3°	109.5°
C31	P	O1	102.4°	109.5°
P	C31	H32	109.5°	109.4°
P	C31	H33	109.5°	109.5°
P	C31	H31	109.5°	109.4°
O3'	C3'	C4'	115.4°	110.5°
O3'	C3'	C2'	114.1°	110.5°
O3'	C3'	H3'	110.2°	110.5°
C3'	O3'	H1	109.5°	114.0°
C4'	C5'	O5'	110.1°	109.5°
C5'	C4'	C3'	113.5°	110.0°
C5'	C4'	O4'	112.2°	109.9°
C5'	C4'	H4'	108.1°	109.8°
C4'	C5'	H5'1	109.3°	109.4°
C4'	C5'	H5'2	109.3°	109.4°
C5'	O5'	P	125.4°	123.0°
O5'	C5'	H5'1	109.3°	109.5°
O5'	C5'	H5'2	109.3°	109.5°
C4'	C3'	C2'	99.1°	104.2°
C3'	C4'	O4'	104.4°	107.3°
C3'	C4'	H4'	108.5°	109.9°
C4'	C3'	H3'	108.8°	110.5°
C3'	C2'	O2'	109.9°	110.9°
C3'	C2'	C1'	101.9°	102.1°
C2'	C3'	H3'	108.7°	110.5°
C3'	C2'	H2'	109.0°	110.9°
C4'	O4'	C1'	110.9°	106.9°
O4'	C4'	H4'	109.9°	109.9°
O5'	P	OP2	109.3°	109.5°
O5'	P	O1	106.4°	109.5°
OP2	P	O1	113.9°	109.5°
O2'	C2'	C1'	115.5°	111.0°
O2'	C2'	H2'	110.8°	110.8°
C2'	O2'	HO2'	109.5°	114.0°
C2'	C1'	O4'	104.4°	103.5°
C2'	C1'	N9	116.3°	110.6°
C1'	C2'	H2'	109.3°	110.9°
C2'	C1'	H1'	107.9°	110.6°
O4'	C1'	N9	110.8°	110.6°
O4'	C1'	H1'	108.9°	110.6°
C1'	N9	C8	123.5°	126.3°
C1'	N9	C4	124.3°	126.3°
N9	C1'	H1'	108.3°	110.6°
N9	C8	N7	114.4°	110.0°
C8	N9	C4	112.0°	107.4°
N9	C8	H8	122.8°	125.0°
C8	N7	C5	101.2°	109.5°
N7	C8	H8	122.8°	125.0°
N9	C4	N3	132.3°	134.9°
N9	C4	C5	104.3°	106.0°
N7	C5	C4	108.1°	107.1°
N7	C5	C6	134.1°	134.7°
N3	C4	C5	123.5°	119.1°
C4	N3	C2	109.0°	120.6°
C4	C5	C6	117.8°	118.1°
N3	C2	N1	133.0°	122.5°
N3	C2	H2	113.5°	118.7°
C5	C6	N1	120.4°	118.5°
C5	C6	N6	117.3°	120.8°
C2	N1	C6	116.2°	121.2°
N1	C2	H2	113.5°	118.8°
N1	C6	N6	122.3°	120.8°
C6	N6	H61	109.5°	120.0°
C6	N6	H62	109.5°	120.0°
P	O1	H3	109.5°	113.9°
H32	C31	H33	109.4°	109.5°
H32	C31	H31	109.5°	109.5°
H33	C31	H31	109.5°	109.5°
H5'1	C5'	H5'2	109.5°	109.5°
H61	N6	H62	109.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C31	P	O5'	C5'	45.5°	175.0°
C31	P	O5'	OP2	127.3°	120.0°
C31	P	O5'	O1	109.3°	120.0°
C31	P	OP2	O1	118.8°	120.0°
P	C31	H32	H33	120.0°	120.0°
P	C31	H32	H31	120.0°	119.9°
P	C31	H33	H31	120.0°	119.9°
C31	P	O1	H3	126.4°	60.0°
O3'	C3'	C4'	C5'	77.6°	119.8°
O3'	C3'	C4'	C2'	122.2°	118.7°
O3'	C3'	C4'	H3'	124.4°	122.6°
O3'	C3'	C2'	H3'	123.4°	122.7°
O3'	C3'	C4'	O4'	159.8°	120.7°
O3'	C3'	C2'	O2'	42.9°	20.4°
O3'	C3'	C2'	C1'	165.9°	97.8°
O3'	C3'	C4'	H4'	42.6°	1.3°
O3'	C3'	C2'	H2'	78.7°	144.0°
C4'	C5'	O5'	H5'1	120.1°	120.0°
C4'	C5'	O5'	H5'2	120.1°	120.0°
C5'	C4'	C3'	O4'	122.6°	119.5°
C5'	C4'	C3'	H4'	120.3°	121.0°
C5'	C4'	C3'	C2'	160.2°	121.6°
C5'	C4'	O4'	H4'	120.4°	120.9°
C4'	C5'	O5'	P	165.5°	180.0°
C5'	C4'	O4'	C1'	141.8°	146.1°
C5'	C4'	C3'	H3'	46.7°	2.9°
C4'	C5'	H5'1	H5'2	119.7°	119.9°
O5'	C5'	C4'	C3'	53.4°	175.6°
O5'	C5'	C4'	O4'	64.7°	66.4°
C5'	O5'	P	OP2	172.8°	55.0°
C5'	O5'	P	O1	63.8°	65.0°
O5'	C5'	C4'	H4'	173.9°	54.5°
O5'	C5'	H5'1	H5'2	119.7°	120.1°
C4'	C3'	C2'	H3'	113.5°	118.6°
C3'	C4'	O4'	H4'	116.2°	119.4°
C4'	C3'	C2'	O2'	80.3°	139.1°
C4'	C3'	C2'	C1'	42.7°	20.9°
C3'	C4'	O4'	C1'	18.4°	26.5°
C4'	C3'	C2'	H2'	158.2°	97.3°
C4'	C3'	O3'	H1	180.0°	180.0°
C3'	C4'	C5'	H5'1	173.5°	55.6°
C3'	C4'	C5'	H5'2	66.7°	64.4°
C2'	C3'	C4'	O4'	37.6°	2.0°
C3'	C2'	O2'	C1'	114.6°	112.7°
C3'	C2'	O2'	H2'	120.5°	123.6°
C3'	C2'	C1'	H2'	115.2°	118.2°
C3'	C2'	C1'	O4'	33.2°	37.0°
C3'	C2'	C1'	N9	89.2°	155.5°
C2'	C3'	C4'	H4'	79.6°	117.4°
C2'	C3'	O3'	H1	66.2°	65.3°
C3'	C2'	C1'	H1'	149.0°	81.5°
C3'	C2'	O2'	HO2'	180.0°	61.4°
C4'	O4'	C1'	C2'	9.5°	40.0°
C4'	O4'	C1'	N9	116.4°	158.6°
O4'	C4'	C3'	H3'	75.8°	116.7°
C4'	O4'	C1'	H1'	124.5°	78.5°
O4'	C4'	C5'	H5'1	55.4°	173.6°
O4'	C4'	C5'	H5'2	175.2°	53.6°
O5'	P	OP2	O1	118.8°	120.0°
O5'	P	C31	H32	180.0°	60.0°
O5'	P	C31	H33	60.0°	180.0°
O5'	P	C31	H31	60.0°	60.0°
P	O5'	C5'	H5'1	45.4°	60.0°
P	O5'	C5'	H5'2	74.4°	60.0°
O5'	P	O1	H3	120.4°	180.0°
OP2	P	C31	H32	56.9°	60.0°
OP2	P	C31	H33	176.9°	60.0°
OP2	P	C31	H31	63.1°	180.0°
OP2	P	O1	H3	0.0°	60.0°
O2'	C2'	C1'	H2'	125.7°	123.6°
O2'	C2'	C1'	O4'	85.8°	155.2°
O2'	C2'	C1'	N9	151.8°	86.3°
O2'	C2'	C3'	H3'	166.3°	102.2°
O2'	C2'	C1'	H1'	29.9°	36.7°
C2'	C1'	O4'	N9	125.9°	118.5°
C2'	C1'	O4'	H1'	115.0°	118.5°
C2'	C1'	N9	H1'	121.6°	122.9°
C2'	C1'	N9	C8	86.7°	90.5°
C2'	C1'	N9	C4	87.0°	89.4°
C1'	C2'	C3'	H3'	70.7°	139.5°
C1'	C2'	O2'	HO2'	65.5°	174.1°
O4'	C1'	N9	H1'	119.4°	122.9°
O4'	C1'	N9	C8	32.3°	23.6°
O4'	C1'	N9	C4	154.1°	156.5°
C1'	O4'	C4'	H4'	97.9°	92.9°
O4'	C1'	C2'	H2'	148.5°	81.1°
C1'	N9	C8	C4	174.3°	179.9°
C1'	N9	C8	N7	175.8°	179.9°
C1'	N9	C4	N3	3.6°	0.1°
C1'	N9	C4	C5	175.7°	179.9°
N9	C1'	C2'	H2'	26.1°	37.4°
C1'	N9	C8	H8	4.2°	0.1°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	0.6°	0.0°
C8	N9	C4	N3	177.8°	180.0°
C8	N9	C4	C5	1.5°	0.0°
C8	N9	C1'	H1'	151.7°	146.6°
N7	C8	N9	C4	1.4°	0.0°
C8	N7	C5	C4	0.3°	0.0°
C8	N7	C5	C6	179.4°	179.9°
N9	C4	C5	N7	1.0°	0.0°
N9	C4	N3	C5	179.2°	179.9°
N9	C4	N3	C2	179.4°	179.7°
N9	C4	C5	C6	179.7°	179.9°
C4	N9	C1'	H1'	34.6°	33.5°
C4	N9	C8	H8	178.6°	180.0°
N7	C5	C4	N3	178.3°	180.0°
N7	C5	C4	C6	179.3°	180.0°
N7	C5	C6	N1	176.4°	180.0°
N7	C5	C6	N6	2.0°	0.3°
C5	N7	C8	H8	179.4°	180.0°
N3	C4	C5	C6	0.9°	0.0°
C4	N3	C2	N1	1.2°	0.5°
C4	N3	C2	H2	178.8°	180.0°
C5	C4	N3	C2	0.2°	0.3°
C4	C5	C6	N1	2.6°	0.0°
C4	C5	C6	N6	179.0°	179.7°
N3	C2	N1	H2	180.0°	179.5°
N3	C2	N1	C6	2.8°	0.5°
C5	C6	N1	C2	3.3°	0.3°
C5	C6	N1	N6	178.3°	179.7°
C5	C6	N6	H61	178.3°	179.7°
C5	C6	N6	H62	61.6°	0.3°
C2	N1	C6	N6	178.4°	180.0°
C6	N1	C2	H2	177.1°	180.0°
N1	C6	N6	H61	0.0°	0.0°
N1	C6	N6	H62	120.0°	180.0°
C6	N6	H61	H62	120.0°	180.0°
O1	P	C31	H32	67.9°	180.0°
O1	P	C31	H33	52.1°	60.0°
O1	P	C31	H31	172.0°	60.0°
H4'	C4'	C3'	H3'	167.0°	123.9°
H4'	C4'	C5'	H5'1	66.0°	65.5°
H4'	C4'	C5'	H5'2	53.8°	174.6°
H3'	C3'	C2'	H2'	44.7°	21.3°
H3'	C3'	O3'	H1	56.4°	57.4°
H2'	C2'	C1'	H1'	95.8°	160.3°
H2'	C2'	O2'	HO2'	59.5°	62.2°
H32	C31	H33	H31	120.0°	120.1°

Release date:	2015-11-18
Definition date:	2015-02-09
Last modified:	2019-05-07
Release status:	REL
Processing site:	EBI
Derived from:	4Y27