S4C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.42Å	1.35Å
N1	C1'	sing	1.44Å	1.48Å
N1	C6	sing	1.39Å	1.37Å
C2	O2	doub	1.23Å	1.24Å
C2	N3	sing	1.38Å	1.33Å
N3	C4	doub	1.31Å	1.32Å
C1'	C2'	sing	1.53Å	1.52Å
C1'	S4'	sing	1.82Å	1.83Å
C1'	H1'	sing	1.09Å	1.11Å
C4	N4	sing	1.38Å	1.32Å
C4	C5	sing	1.49Å	1.39Å
N4	H41	sing	0.99Å	1.00Å
N4	H42	sing	0.99Å	1.01Å
C5	C6	doub	1.33Å	1.34Å
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C2'	O2'	sing	1.42Å	1.39Å
C2'	C3'	sing	1.53Å	1.50Å
C2'	H1	sing	1.10Å	1.12Å
O2'	H2'	sing	0.97Å	0.96Å
C3'	O3'	sing	1.43Å	1.39Å
C3'	C4'	sing	1.53Å	1.59Å
C3'	H3'	sing	1.09Å	1.12Å
O3'	H2	sing	0.97Å	0.95Å
C4'	S4'	sing	1.83Å	1.85Å
C4'	C5'	sing	1.52Å	1.51Å
C4'	H4'	sing	1.09Å	1.11Å
OP1	P	sing	1.62Å	1.50Å
OP1	H1P	sing	0.98Å	0.95Å
C5'	O5'	sing	1.42Å	1.41Å
C5'	H5'	sing	1.09Å	1.11Å
C5'	H5''	sing	1.09Å	1.12Å
O5'	P	sing	1.62Å	1.55Å
OP2	P	sing	1.62Å	1.47Å
OP2	H2P	sing	0.98Å	0.95Å
P	OP3	doub	1.50Å	23.32Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C1'	112.8°	122.1°
C2	N1	C6	122.2°	119.3°
N1	C2	O2	120.3°	120.9°
N1	C2	N3	117.6°	118.9°
C1'	N1	C6	125.0°	118.7°
N1	C1'	C2'	114.4°	112.4°
N1	C1'	S4'	106.2°	110.5°
N1	C1'	H1'	105.8°	107.0°
N1	C6	C5	119.8°	122.8°
N1	C6	H6	121.4°	116.1°
O2	C2	N3	122.2°	120.2°
C2	N3	C4	121.7°	121.1°
N3	C4	N4	118.1°	120.2°
N3	C4	C5	121.8°	121.6°
C2'	C1'	S4'	99.4°	105.1°
C2'	C1'	H1'	111.9°	112.0°
C1'	C2'	O2'	111.3°	109.9°
C1'	C2'	C3'	107.5°	107.0°
C1'	C2'	H1	108.8°	111.3°
S4'	C1'	H1'	119.4°	109.8°
C1'	S4'	C4'	104.9°	96.0°
N4	C4	C5	120.0°	118.2°
C4	N4	H41	120.5°	118.0°
C4	N4	H42	119.5°	118.0°
C4	C5	C6	117.0°	116.4°
C4	C5	H5	123.3°	120.5°
H41	N4	H42	120.0°	123.9°
C6	C5	H5	119.7°	123.1°
C5	C6	H6	118.8°	121.2°
O2'	C2'	C3'	107.1°	110.4°
O2'	C2'	H1	109.3°	107.8°
C2'	O2'	H2'	107.6°	106.8°
C3'	C2'	H1	112.9°	110.4°
C2'	C3'	O3'	108.9°	110.5°
C2'	C3'	C4'	111.9°	107.1°
C2'	C3'	H3'	108.9°	111.5°
O3'	C3'	C4'	111.4°	108.5°
O3'	C3'	H3'	109.4°	106.7°
C3'	O3'	H2	108.9°	106.3°
C4'	C3'	H3'	106.3°	112.5°
C3'	C4'	S4'	90.1°	104.3°
C3'	C4'	C5'	106.3°	113.1°
C3'	C4'	H4'	122.1°	111.6°
S4'	C4'	C5'	107.9°	109.5°
S4'	C4'	H4'	120.8°	108.5°
C5'	C4'	H4'	107.8°	109.6°
C4'	C5'	O5'	110.6°	108.6°
C4'	C5'	H5'	111.8°	110.1°
C4'	C5'	H5''	111.8°	110.0°
P	OP1	H1P	110.5°	118.9°
OP1	P	O5'	110.5°	103.7°
OP1	P	OP2	118.4°	103.3°
OP1	P	OP3	26.9°	115.3°
O5'	C5'	H5'	111.8°	109.2°
O5'	C5'	H5''	111.8°	109.2°
C5'	O5'	P	128.7°	118.5°
H5'	C5'	H5''	98.6°	109.7°
O5'	P	OP2	111.3°	102.9°
O5'	P	OP3	126.3°	115.0°
P	OP2	H2P	118.5°	119.0°
OP2	P	OP3	91.6°	115.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C1'	C6	177.9°	179.9°
N1	C2	O2	N3	178.5°	179.9°
N1	C2	N3	C4	0.2°	0.1°
C2	N1	C1'	C2'	94.4°	123.3°
C2	N1	C1'	S4'	157.0°	119.6°
C2	N1	C1'	H1'	29.2°	0.1°
C2	N1	C6	C5	0.1°	0.0°
C2	N1	C6	H6	180.0°	180.0°
C1'	N1	C2	O2	0.2°	0.0°
C1'	N1	C2	N3	178.4°	180.0°
N1	C1'	C2'	S4'	112.6°	120.3°
N1	C1'	C2'	H1'	120.2°	120.5°
N1	C1'	S4'	H1'	119.2°	117.8°
C1'	N1	C6	C5	177.7°	180.0°
C1'	N1	C6	H6	2.3°	0.1°
N1	C1'	C2'	O2'	159.6°	83.0°
N1	C1'	C2'	C3'	83.4°	157.0°
N1	C1'	C2'	H1	39.2°	36.3°
N1	C1'	S4'	C4'	118.6°	134.5°
C6	N1	C2	O2	178.1°	179.9°
C6	N1	C2	N3	0.5°	0.1°
C6	N1	C1'	C2'	87.7°	56.6°
C6	N1	C1'	S4'	20.8°	60.5°
C6	N1	C1'	H1'	148.7°	180.0°
N1	C6	C5	C4	0.6°	0.0°
N1	C6	C5	H6	180.0°	180.0°
N1	C6	C5	H5	179.4°	179.9°
O2	C2	N3	C4	178.3°	179.9°
C2	N3	C4	N4	176.6°	180.0°
C2	N3	C4	C5	0.5°	0.1°
N3	C4	N4	C5	177.1°	179.9°
N3	C4	N4	H41	172.9°	15.3°
N3	C4	N4	H42	7.0°	164.9°
N3	C4	C5	C6	0.9°	0.1°
N3	C4	C5	H5	179.1°	179.9°
C2'	C1'	S4'	H1'	121.8°	120.7°
C1'	C2'	O2'	C3'	117.3°	117.8°
C1'	C2'	O2'	H1	120.2°	121.5°
C1'	C2'	C3'	H1	120.0°	121.3°
C1'	C2'	O2'	H2'	179.0°	148.1°
C1'	C2'	C3'	O3'	179.4°	68.7°
C1'	C2'	C3'	C4'	57.0°	49.3°
C1'	C2'	C3'	H3'	60.2°	172.8°
C2'	C1'	S4'	C4'	0.4°	13.0°
S4'	C1'	C2'	O2'	87.8°	156.7°
S4'	C1'	C2'	C3'	29.2°	36.8°
S4'	C1'	C2'	H1	151.8°	84.0°
C1'	S4'	C4'	C3'	25.4°	13.9°
C1'	S4'	C4'	C5'	132.6°	107.4°
C1'	S4'	C4'	H4'	102.9°	133.1°
H1'	C1'	C2'	O2'	39.4°	37.5°
H1'	C1'	C2'	C3'	156.3°	82.4°
H1'	C1'	C2'	H1	81.1°	156.8°
H1'	C1'	S4'	C4'	122.2°	107.7°
C4	N4	H41	H42	179.9°	179.9°
N4	C4	C5	C6	176.1°	179.9°
N4	C4	C5	H5	3.9°	0.1°
C5	C4	N4	H41	10.0°	164.9°
C5	C4	N4	H42	170.1°	15.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H6	179.4°	180.0°
H5	C5	C6	H6	0.6°	0.0°
O2'	C2'	C3'	H1	120.3°	119.1°
O2'	C2'	C3'	O3'	60.8°	50.9°
O2'	C2'	C3'	C4'	62.7°	169.0°
O2'	C2'	C3'	H3'	180.0°	67.6°
C3'	C2'	O2'	H2'	61.7°	30.3°
C2'	C3'	O3'	C4'	123.9°	117.2°
C2'	C3'	O3'	H3'	118.9°	121.4°
C2'	C3'	C4'	H3'	118.7°	122.9°
C2'	C3'	O3'	H2	179.9°	146.1°
C2'	C3'	C4'	S4'	48.1°	37.4°
C2'	C3'	C4'	C5'	156.8°	81.5°
C2'	C3'	C4'	H4'	79.3°	154.3°
H1	C2'	O2'	H2'	60.9°	90.4°
H1	C2'	C3'	O3'	59.4°	170.0°
H1	C2'	C3'	C4'	177.0°	71.9°
H1	C2'	C3'	H3'	59.8°	51.5°
O3'	C3'	C4'	H3'	119.1°	117.8°
O3'	C3'	C4'	S4'	170.2°	82.0°
O3'	C3'	C4'	C5'	81.1°	159.1°
O3'	C3'	C4'	H4'	42.9°	35.0°
C4'	C3'	O3'	H2	56.2°	96.8°
C3'	C4'	S4'	C5'	107.2°	121.3°
C3'	C4'	S4'	H4'	128.3°	119.1°
C3'	C4'	C5'	H4'	132.5°	125.2°
C3'	C4'	C5'	O5'	45.3°	179.5°
C3'	C4'	C5'	H5'	170.6°	60.0°
C3'	C4'	C5'	H5''	79.9°	61.0°
H3'	C3'	O3'	H2	61.1°	24.6°
H3'	C3'	C4'	S4'	70.7°	160.2°
H3'	C3'	C4'	C5'	38.0°	41.3°
H3'	C3'	C4'	H4'	162.0°	82.8°
S4'	C4'	C5'	H4'	132.0°	118.9°
S4'	C4'	C5'	O5'	50.2°	63.7°
S4'	C4'	C5'	H5'	75.0°	55.8°
S4'	C4'	C5'	H5''	175.5°	176.9°
C4'	C5'	O5'	H5'	125.3°	120.1°
C4'	C5'	O5'	H5''	125.2°	120.0°
C4'	C5'	H5'	H5''	117.7°	121.2°
C4'	C5'	O5'	P	170.4°	180.0°
H4'	C4'	C5'	O5'	177.8°	55.2°
H4'	C4'	C5'	H5'	57.0°	174.7°
H4'	C4'	C5'	H5''	52.5°	64.3°
OP1	P	O5'	C5'	174.5°	53.2°
OP1	P	O5'	OP2	133.8°	107.4°
OP1	P	O5'	OP3	24.9°	126.8°
OP1	P	OP2	OP3	0.6°	126.5°
OP1	P	OP2	H2P	180.0°	78.5°
H1P	OP1	P	O5'	180.0°	175.4°
H1P	OP1	P	OP2	49.9°	77.5°
H1P	OP1	P	OP3	48.6°	48.8°
O5'	C5'	H5'	H5''	117.7°	119.6°
C5'	O5'	P	OP2	40.8°	54.2°
C5'	O5'	P	OP3	149.7°	180.0°
H5'	C5'	O5'	P	45.1°	59.9°
H5''	C5'	O5'	P	64.4°	60.0°
O5'	P	OP2	OP3	130.3°	125.8°
O5'	P	OP2	H2P	50.3°	173.8°
H2P	OP2	P	OP3	179.4°	48.0°

Definition date:	2005-07-01
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB