UM3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.34Å	1.39Å	Aromatic
N1	C6	sing	1.37Å	1.38Å	Aromatic
N1	C1'	sing	1.46Å	1.48Å
C2	N3	sing	1.35Å	1.37Å	Aromatic
C2	O2	doub	1.22Å	1.22Å
N3	C4	sing	1.35Å	1.38Å	Aromatic
N3	HN3	sing	0.97Å	1.02Å
C4	C5	sing	1.42Å	1.43Å	Aromatic
C4	O4	doub	1.22Å	1.23Å
C5	C6	doub	1.35Å	1.34Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C1'	C2'	sing	1.54Å	1.52Å
C1'	O4'	sing	1.44Å	1.43Å
C1'	H1'	sing	1.09Å	1.11Å
C2'	C3'	sing	1.55Å	1.52Å
C2'	H2'1	sing	1.09Å	1.12Å
C2'	H2'2	sing	1.09Å	1.12Å
C3'	C4'	sing	1.55Å	1.53Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	H3'	sing	1.09Å	1.11Å
C4'	O4'	sing	1.44Å	1.45Å
C4'	C5'	sing	1.53Å	1.51Å
C4'	H4'	sing	1.09Å	1.11Å
O3'	P	sing	1.61Å	1.61Å
C5'	O5'	sing	1.43Å	1.43Å
C5'	H5'1	sing	1.09Å	1.12Å
C5'	H5'2	sing	1.09Å	1.11Å
O5'	HO5'	sing	0.97Å	0.95Å
P	O1P	doub	1.48Å	1.48Å
P	O2P	sing	1.61Å	1.49Å
P	O3P	sing	1.61Å	1.59Å
O2P	HOP2	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	120.5°	120.6°
C2	N1	C1'	118.5°	119.7°
N1	C2	N3	114.8°	120.9°
N1	C2	O2	123.7°	119.6°
C6	N1	C1'	121.0°	119.7°
N1	C6	C5	122.9°	119.7°
N1	C6	H6	120.4°	120.1°
N1	C1'	C2'	111.4°	110.0°
N1	C1'	O4'	108.1°	109.9°
N1	C1'	H1'	108.4°	109.9°
N3	C2	O2	121.5°	119.5°
C2	N3	C4	127.5°	120.3°
C2	N3	HN3	116.0°	119.8°
C4	N3	HN3	116.5°	119.9°
N3	C4	C5	114.7°	119.4°
N3	C4	O4	119.2°	120.3°
C5	C4	O4	126.1°	120.3°
C4	C5	C6	119.7°	119.1°
C4	C5	H5	123.6°	120.4°
C6	C5	H5	116.8°	120.5°
C5	C6	H6	116.7°	120.2°
C2'	C1'	O4'	107.4°	107.3°
C2'	C1'	H1'	109.2°	109.9°
C1'	C2'	C3'	105.4°	104.3°
C1'	C2'	H2'1	113.7°	110.5°
C1'	C2'	H2'2	113.7°	110.5°
O4'	C1'	H1'	112.4°	109.9°
C1'	O4'	C4'	111.1°	106.9°
C3'	C2'	H2'1	113.8°	110.3°
C3'	C2'	H2'2	113.8°	110.5°
C2'	C3'	C4'	104.5°	101.9°
C2'	C3'	O3'	111.8°	111.0°
C2'	C3'	H3'	112.3°	110.9°
H2'1	C2'	H2'2	96.7°	110.5°
C4'	C3'	O3'	112.6°	111.1°
C4'	C3'	H3'	111.5°	110.6°
C3'	C4'	O4'	106.6°	103.7°
C3'	C4'	C5'	113.7°	110.7°
C3'	C4'	H4'	108.7°	110.6°
O3'	C3'	H3'	104.3°	110.9°
C3'	O3'	P	119.5°	106.8°
O4'	C4'	C5'	109.7°	110.6°
O4'	C4'	H4'	112.7°	110.6°
C5'	C4'	H4'	105.5°	110.5°
C4'	C5'	O5'	110.4°	109.5°
C4'	C5'	H5'1	111.9°	109.4°
C4'	C5'	H5'2	111.9°	109.5°
O3'	P	O1P	106.6°	109.4°
O3'	P	O2P	109.3°	109.5°
O3'	P	O3P	104.5°	109.5°
O5'	C5'	H5'1	111.8°	109.5°
O5'	C5'	H5'2	111.8°	109.5°
C5'	O5'	HO5'	110.4°	106.8°
H5'1	C5'	H5'2	98.5°	109.5°
O1P	P	O2P	119.6°	109.5°
O1P	P	O3P	107.8°	109.5°
O2P	P	O3P	107.9°	109.5°
P	O2P	HOP2	109.2°	106.8°
P	O3P	HOP3	104.6°	106.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C6	C1'	179.3°	179.6°
N1	C2	N3	O2	178.9°	179.4°
N1	C2	N3	C4	0.3°	0.6°
N1	C2	N3	HN3	179.7°	179.6°
C2	N1	C6	C5	0.1°	0.3°
C2	N1	C6	H6	179.9°	179.7°
C2	N1	C1'	C2'	94.5°	59.7°
C2	N1	C1'	O4'	147.7°	58.2°
C2	N1	C1'	H1'	25.6°	179.2°
C6	N1	C2	N3	0.4°	0.6°
C6	N1	C2	O2	178.5°	180.0°
N1	C6	C5	C4	0.9°	0.0°
N1	C6	C5	H6	180.0°	179.9°
N1	C6	C5	H5	179.1°	179.9°
C6	N1	C1'	C2'	86.2°	120.7°
C6	N1	C1'	O4'	31.6°	121.4°
C6	N1	C1'	H1'	153.7°	0.4°
C1'	N1	C2	N3	178.9°	179.8°
C1'	N1	C2	O2	2.2°	0.4°
C1'	N1	C6	C5	179.2°	179.9°
C1'	N1	C6	H6	0.8°	0.0°
N1	C1'	C2'	O4'	118.2°	119.5°
N1	C1'	C2'	H1'	119.7°	121.1°
N1	C1'	O4'	H1'	119.6°	121.0°
N1	C1'	C2'	C3'	133.9°	121.7°
N1	C1'	C2'	H2'1	100.9°	119.8°
N1	C1'	C2'	H2'2	8.6°	2.8°
N1	C1'	O4'	C4'	123.1°	146.1°
C2	N3	C4	HN3	180.0°	179.8°
C2	N3	C4	C5	1.2°	0.3°
C2	N3	C4	O4	175.2°	179.7°
O2	C2	N3	C4	179.2°	180.0°
O2	C2	N3	HN3	0.8°	0.3°
N3	C4	C5	O4	176.1°	180.0°
N3	C4	C5	C6	1.5°	0.0°
N3	C4	C5	H5	178.5°	179.9°
HN3	N3	C4	C5	178.8°	179.9°
HN3	N3	C4	O4	4.8°	0.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	179.0°	180.0°
O4	C4	C5	C6	174.6°	179.9°
O4	C4	C5	H5	5.3°	0.0°
H5	C5	C6	H6	0.9°	0.1°
C2'	C1'	O4'	H1'	120.1°	119.4°
C1'	C2'	C3'	H2'1	125.3°	118.7°
C1'	C2'	C3'	H2'2	125.2°	118.9°
C1'	C2'	H2'1	H2'2	119.6°	122.6°
C1'	C2'	C3'	C4'	21.8°	20.6°
C1'	C2'	C3'	O3'	100.4°	139.0°
C1'	C2'	C3'	H3'	142.8°	97.2°
C2'	C1'	O4'	C4'	2.8°	26.5°
O4'	C1'	C2'	C3'	15.7°	2.2°
O4'	C1'	C2'	H2'1	140.9°	120.7°
O4'	C1'	C2'	H2'2	109.6°	116.7°
C1'	O4'	C4'	C3'	11.3°	40.0°
C1'	O4'	C4'	C5'	112.3°	158.6°
C1'	O4'	C4'	H4'	130.4°	78.6°
H1'	C1'	C2'	C3'	106.5°	117.2°
H1'	C1'	C2'	H2'1	18.8°	1.3°
H1'	C1'	C2'	H2'2	128.3°	123.9°
H1'	C1'	O4'	C4'	117.3°	92.9°
C3'	C2'	H2'1	H2'2	119.7°	122.5°
C2'	C3'	C4'	O3'	121.6°	118.3°
C2'	C3'	C4'	H3'	121.6°	118.0°
C2'	C3'	O3'	H3'	121.6°	123.8°
C2'	C3'	C4'	O4'	20.5°	36.8°
C2'	C3'	C4'	C5'	100.6°	155.4°
C2'	C3'	C4'	H4'	142.2°	81.8°
C2'	C3'	O3'	P	89.6°	121.5°
H2'1	C2'	C3'	C4'	147.0°	98.1°
H2'1	C2'	C3'	O3'	24.9°	20.4°
H2'1	C2'	C3'	H3'	91.9°	144.1°
H2'2	C2'	C3'	C4'	103.5°	139.5°
H2'2	C2'	C3'	O3'	134.4°	102.1°
H2'2	C2'	C3'	H3'	17.6°	21.6°
C4'	C3'	O3'	H3'	121.0°	123.5°
C3'	C4'	O4'	C5'	123.5°	118.7°
C3'	C4'	O4'	H4'	119.2°	118.5°
C3'	C4'	C5'	H4'	119.0°	122.8°
C4'	C3'	O3'	P	153.0°	125.8°
C3'	C4'	C5'	O5'	49.6°	177.9°
C3'	C4'	C5'	H5'1	174.8°	57.9°
C3'	C4'	C5'	H5'2	75.7°	62.1°
O3'	C3'	C4'	O4'	101.1°	155.1°
O3'	C3'	C4'	C5'	137.9°	86.2°
O3'	C3'	C4'	H4'	20.7°	36.5°
C3'	O3'	P	O1P	88.1°	60.0°
C3'	O3'	P	O2P	141.4°	180.0°
C3'	O3'	P	O3P	26.0°	59.9°
H3'	C3'	C4'	O4'	142.1°	81.2°
H3'	C3'	C4'	C5'	21.0°	37.4°
H3'	C3'	C4'	H4'	96.2°	160.2°
H3'	C3'	O3'	P	32.0°	2.3°
O4'	C4'	C5'	H4'	121.7°	122.9°
O4'	C4'	C5'	O5'	69.7°	63.5°
O4'	C4'	C5'	H5'1	55.5°	56.5°
O4'	C4'	C5'	H5'2	165.0°	176.4°
C4'	C5'	O5'	H5'1	125.3°	119.9°
C4'	C5'	O5'	H5'2	125.3°	120.0°
C4'	C5'	H5'1	H5'2	117.8°	120.0°
C4'	C5'	O5'	HO5'	179.9°	179.9°
H4'	C4'	C5'	O5'	168.6°	59.3°
H4'	C4'	C5'	H5'1	66.2°	179.3°
H4'	C4'	C5'	H5'2	43.3°	60.7°
O3'	P	O1P	O2P	124.5°	120.0°
O3'	P	O1P	O3P	111.8°	120.0°
O3'	P	O2P	O3P	113.1°	120.0°
O3'	P	O2P	HOP2	180.0°	180.0°
O3'	P	O3P	HOP3	180.0°	60.0°
O5'	C5'	H5'1	H5'2	117.7°	120.1°
H5'1	C5'	O5'	HO5'	54.7°	60.0°
H5'2	C5'	O5'	HO5'	54.8°	60.0°
O1P	P	O2P	O3P	123.6°	120.0°
O1P	P	O2P	HOP2	56.8°	60.0°
O1P	P	O3P	HOP3	66.7°	180.0°
O2P	P	O3P	HOP3	63.8°	60.0°
O3P	P	O2P	HOP2	66.8°	60.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2RNF