SNI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5'	C5'	sing	1.43Å	1.40Å
O5'	H5'	sing	0.97Å	0.95Å
C5'	C4'	sing	1.53Å	1.49Å
C5'	H5'1	sing	1.09Å	1.12Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.54Å	1.50Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C1'	sing	1.44Å	1.49Å
C1'	N9	sing	1.46Å	1.48Å
C1'	C2'	sing	1.55Å	1.59Å
C1'	H1'	sing	1.09Å	1.12Å
N9	C4	sing	1.38Å	1.41Å	Aromatic
N9	C8	sing	1.36Å	1.40Å	Aromatic
C4	N3	sing	1.34Å	1.41Å	Aromatic
C4	C5	doub	1.41Å	1.42Å	Aromatic
N3	C2	doub	1.30Å	1.39Å	Aromatic
C2	N1	sing	1.37Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N1	C6	sing	1.41Å	1.43Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
C6	SE	doub	1.70Å	1.28Å
C6	C5	sing	1.39Å	1.47Å	Aromatic
C5	N7	sing	1.36Å	1.38Å	Aromatic
N7	C8	doub	1.30Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C2'	O2'	sing	1.43Å	1.42Å
C2'	C3'	sing	1.55Å	1.54Å
C2'	H2'	sing	1.09Å	1.12Å
O2'	H1	sing	0.97Å	0.95Å
C3'	O3'	sing	1.43Å	1.42Å
C3'	H3'	sing	1.09Å	1.11Å
O3'	H3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5'	O5'	H5'	113.6°	106.8°
O5'	C5'	C4'	113.6°	109.6°
O5'	C5'	H5'1	110.7°	109.5°
O5'	C5'	H5'2	110.7°	109.5°
C4'	C5'	H5'1	110.7°	109.4°
C4'	C5'	H5'2	110.7°	109.4°
C5'	C4'	O4'	112.4°	109.8°
C5'	C4'	C3'	113.4°	109.9°
C5'	C4'	H4'	104.1°	109.8°
H5'1	C5'	H5'2	99.7°	109.4°
O4'	C4'	C3'	107.6°	107.4°
O4'	C4'	H4'	110.2°	109.8°
C4'	O4'	C1'	113.7°	107.0°
C3'	C4'	H4'	109.2°	109.9°
C4'	C3'	C2'	105.1°	104.1°
C4'	C3'	O3'	106.3°	110.8°
C4'	C3'	H3'	114.2°	110.5°
O4'	C1'	N9	108.7°	110.7°
O4'	C1'	C2'	99.4°	103.5°
O4'	C1'	H1'	122.0°	110.6°
N9	C1'	C2'	122.8°	110.8°
N9	C1'	H1'	98.2°	110.5°
C1'	N9	C4	128.3°	126.3°
C1'	N9	C8	124.2°	126.2°
C2'	C1'	H1'	107.6°	110.6°
C1'	C2'	O2'	109.1°	110.9°
C1'	C2'	C3'	108.4°	102.1°
C1'	C2'	H2'	111.9°	110.9°
C4	N9	C8	107.5°	107.5°
N9	C4	N3	128.6°	133.9°
N9	C4	C5	106.6°	105.8°
N9	C8	N7	109.2°	110.2°
N9	C8	H8	125.1°	124.9°
N3	C4	C5	124.7°	120.2°
C4	N3	C2	114.8°	121.6°
C4	C5	C6	120.3°	118.8°
C4	C5	N7	109.7°	107.0°
N3	C2	N1	122.7°	121.7°
N3	C2	H2	118.1°	119.2°
N1	C2	H2	119.1°	119.2°
C2	N1	C6	124.7°	119.7°
C2	N1	HN1	106.8°	120.2°
C6	N1	HN1	106.9°	120.2°
N1	C6	SE	119.7°	121.0°
N1	C6	C5	112.6°	117.9°
SE	C6	C5	127.7°	121.1°
C6	C5	N7	130.0°	134.1°
C5	N7	C8	106.9°	109.4°
N7	C8	H8	125.7°	124.9°
O2'	C2'	C3'	113.4°	110.9°
O2'	C2'	H2'	106.7°	110.8°
C2'	O2'	H1	109.1°	106.8°
C3'	C2'	H2'	107.5°	111.0°
C2'	C3'	O3'	109.5°	110.5°
C2'	C3'	H3'	111.3°	110.4°
O3'	C3'	H3'	110.2°	110.4°
C3'	O3'	H3	106.3°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5'	C5'	C4'	H5'1	125.2°	120.0°
O5'	C5'	C4'	H5'2	125.2°	120.1°
O5'	C5'	H5'1	H5'2	116.6°	120.0°
O5'	C5'	C4'	O4'	63.6°	61.7°
O5'	C5'	C4'	C3'	174.1°	179.7°
O5'	C5'	C4'	H4'	55.6°	59.2°
H5'	O5'	C5'	C4'	179.9°	180.0°
H5'	O5'	C5'	H5'1	54.7°	60.0°
H5'	O5'	C5'	H5'2	54.8°	60.0°
C4'	C5'	H5'1	H5'2	116.6°	119.9°
C5'	C4'	O4'	C3'	125.5°	119.6°
C5'	C4'	O4'	H4'	115.6°	120.9°
C5'	C4'	C3'	H4'	115.5°	121.1°
C5'	C4'	O4'	C1'	109.7°	146.0°
C5'	C4'	C3'	C2'	125.3°	121.4°
C5'	C4'	C3'	O3'	118.6°	119.9°
C5'	C4'	C3'	H3'	3.1°	2.8°
H5'1	C5'	C4'	O4'	61.7°	178.3°
H5'1	C5'	C4'	C3'	60.7°	60.3°
H5'1	C5'	C4'	H4'	179.1°	60.8°
H5'2	C5'	C4'	O4'	171.2°	58.3°
H5'2	C5'	C4'	C3'	48.9°	59.7°
H5'2	C5'	C4'	H4'	69.6°	179.2°
O4'	C4'	C3'	H4'	119.5°	119.5°
C4'	O4'	C1'	N9	105.9°	158.7°
C4'	O4'	C1'	C2'	23.5°	40.0°
C4'	O4'	C1'	H1'	141.2°	78.5°
O4'	C4'	C3'	C2'	0.4°	1.9°
O4'	C4'	C3'	O3'	116.4°	120.6°
O4'	C4'	C3'	H3'	121.8°	116.7°
C3'	C4'	O4'	C1'	15.8°	26.4°
C4'	C3'	C2'	C1'	14.8°	21.0°
C4'	C3'	C2'	O2'	106.4°	139.1°
C4'	C3'	C2'	O3'	113.8°	119.0°
C4'	C3'	C2'	H3'	124.1°	118.6°
C4'	C3'	C2'	H2'	135.9°	97.2°
C4'	C3'	O3'	H3'	124.2°	122.7°
C4'	C3'	O3'	H3	180.0°	65.3°
H4'	C4'	O4'	C1'	134.7°	93.1°
H4'	C4'	C3'	C2'	119.2°	117.6°
H4'	C4'	C3'	O3'	3.1°	1.2°
H4'	C4'	C3'	H3'	118.6°	123.9°
O4'	C1'	N9	C2'	115.0°	114.2°
O4'	C1'	N9	H1'	127.9°	122.8°
O4'	C1'	C2'	H1'	128.1°	118.4°
O4'	C1'	N9	C4	160.7°	151.7°
O4'	C1'	N9	C8	16.8°	28.6°
O4'	C1'	C2'	O2'	101.3°	155.2°
O4'	C1'	C2'	C3'	22.6°	37.0°
O4'	C1'	C2'	H2'	140.9°	81.3°
N9	C1'	C2'	H1'	112.4°	122.9°
C1'	N9	C4	C8	177.9°	179.8°
C1'	N9	C4	N3	4.7°	0.8°
C1'	N9	C4	C5	176.6°	179.9°
C1'	N9	C8	N7	176.9°	180.0°
C1'	N9	C8	H8	3.1°	0.0°
N9	C1'	C2'	O2'	139.2°	86.2°
N9	C1'	C2'	C3'	96.9°	155.7°
N9	C1'	C2'	H2'	21.4°	37.4°
C2'	C1'	N9	C4	45.7°	94.1°
C2'	C1'	N9	C8	131.8°	85.6°
C1'	C2'	O2'	C3'	120.8°	112.7°
C1'	C2'	O2'	H2'	121.0°	123.6°
C1'	C2'	C3'	H2'	121.1°	118.2°
C1'	C2'	O2'	H1	180.0°	180.0°
C1'	C2'	C3'	O3'	128.7°	98.0°
C1'	C2'	C3'	H3'	109.3°	139.5°
H1'	C1'	N9	C4	71.4°	28.9°
H1'	C1'	N9	C8	111.1°	151.4°
H1'	C1'	C2'	O2'	26.8°	36.8°
H1'	C1'	C2'	C3'	150.7°	81.4°
H1'	C1'	C2'	H2'	91.0°	160.3°
N9	C4	N3	C5	178.5°	179.0°
N9	C4	N3	C2	178.1°	179.6°
N9	C4	C5	C6	179.5°	179.8°
N9	C4	C5	N7	1.1°	0.3°
C4	N9	C8	N7	1.1°	0.2°
C4	N9	C8	H8	178.9°	179.7°
C8	N9	C4	N3	177.5°	179.5°
C8	N9	C4	C5	1.3°	0.3°
N9	C8	N7	C5	0.4°	0.0°
N9	C8	N7	H8	180.0°	179.9°
C4	N3	C2	N1	2.1°	0.3°
C4	N3	C2	H2	177.9°	179.7°
N3	C4	C5	C6	1.7°	0.5°
N3	C4	C5	N7	177.7°	179.6°
C5	C4	N3	C2	3.3°	0.5°
C4	C5	C6	N1	1.2°	0.2°
C4	C5	C6	SE	178.7°	179.7°
C4	C5	C6	N7	179.3°	179.8°
C4	C5	N7	C8	0.4°	0.2°
N3	C2	N1	H2	180.0°	180.0°
N3	C2	N1	C6	0.8°	0.0°
N3	C2	N1	HN1	126.0°	179.9°
C2	N1	C6	HN1	125.2°	179.9°
C2	N1	C6	SE	179.9°	180.0°
C2	N1	C6	C5	2.4°	0.1°
H2	C2	N1	C6	179.2°	180.0°
H2	C2	N1	HN1	54.0°	0.1°
N1	C6	SE	C5	177.3°	179.9°
N1	C6	C5	N7	179.5°	180.0°
HN1	N1	C6	SE	54.7°	0.1°
HN1	N1	C6	C5	127.6°	180.0°
SE	C6	C5	N7	2.0°	0.1°
C6	C5	N7	C8	179.8°	179.9°
C5	N7	C8	H8	179.6°	179.9°
O2'	C2'	C3'	H2'	117.7°	123.6°
O2'	C2'	C3'	O3'	7.4°	20.2°
O2'	C2'	C3'	H3'	129.5°	102.3°
C3'	C2'	O2'	H1	59.2°	67.4°
C2'	C3'	O3'	H3'	122.7°	122.5°
C2'	C3'	O3'	H3	66.9°	179.9°
H2'	C2'	O2'	H1	58.9°	56.4°
H2'	C2'	C3'	O3'	110.3°	143.8°
H2'	C2'	C3'	H3'	11.8°	21.3°
H3'	C3'	O3'	H3	55.8°	57.5°

Definition date:	2004-02-25
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1S3F