XAE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	OP3	sing	1.62Å	1.61Å
P	O5'	sing	1.62Å	1.61Å
P	OP1	sing	1.62Å	1.48Å
P	OP2	doub	1.50Å	1.48Å
OP1	HO1P	sing	0.98Å	0.95Å
C5'	C4'	sing	1.52Å	1.53Å
C5'	O5'	sing	1.42Å	1.43Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C4'	O4'	sing	1.44Å	1.44Å
C4'	C3'	sing	1.52Å	1.52Å
C4'	H4'	sing	1.10Å	1.10Å
O4'	C1'	sing	1.44Å	1.43Å
C3'	O3'	sing	1.41Å	1.43Å
C3'	C2'	sing	1.51Å	1.52Å
C3'	H3'	sing	1.10Å	1.10Å
C2'	C1'	sing	1.52Å	1.53Å
C2'	H2'1	sing	1.09Å	1.10Å
C2'	H2'2	sing	1.10Å	1.10Å
C1'	N9	sing	1.46Å	1.46Å
C1'	H1'	sing	1.09Å	1.10Å
N9	C10	sing	1.37Å	1.38Å	Aromatic
N9	C8	sing	1.37Å	1.37Å	Aromatic
C8	N7	doub	1.31Å	1.31Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
N7	C11	sing	1.38Å	1.37Å	Aromatic
C5	C4	sing	1.41Å	1.41Å	Aromatic
C5	C6	sing	1.39Å	1.43Å	Aromatic
C5	CP	doub	1.41Å	1.42Å	Aromatic
C4	N3	sing	1.34Å	1.37Å	Aromatic
C4	CD	doub	1.39Å	1.40Å	Aromatic
C6	N1	doub	1.35Å	1.34Å	Aromatic
C6	N6	sing	1.42Å	1.33Å
N6	HN61	sing	1.00Å	1.00Å
N6	HN62	sing	1.00Å	1.00Å
N1	C2	sing	1.34Å	1.33Å	Aromatic
C2	N3	doub	1.35Å	1.34Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C10	CD	sing	1.40Å	1.41Å	Aromatic
C10	C11	doub	1.39Å	1.40Å	Aromatic
C11	CP	sing	1.40Å	1.40Å	Aromatic
CP	HP	sing	1.08Å	1.08Å
CD	HD	sing	1.09Å	1.08Å
O3'	HO3'	sing	0.97Å	0.95Å
OP3	HO3P	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OP3	P	O5'	102.7°	102.9°
OP3	P	OP1	108.2°	103.3°
OP3	P	OP2	108.2°	115.0°
P	OP3	HO3P	109.5°	118.9°
O5'	P	OP1	108.2°	103.7°
O5'	P	OP2	108.1°	115.0°
P	O5'	C5'	120.9°	118.5°
OP1	P	OP2	120.0°	115.3°
P	OP1	HO1P	109.5°	118.9°
C4'	C5'	O5'	111.5°	108.7°
C4'	C5'	H5'1	108.8°	110.1°
C4'	C5'	H5'2	108.3°	110.1°
C5'	C4'	O4'	108.8°	109.7°
C5'	C4'	C3'	114.7°	113.6°
C5'	C4'	H4'	105.1°	108.6°
O5'	C5'	H5'1	108.8°	109.2°
O5'	C5'	H5'2	108.4°	109.2°
H5'1	C5'	H5'2	111.1°	109.6°
O4'	C4'	C3'	105.0°	105.5°
O4'	C4'	H4'	114.7°	108.2°
C4'	O4'	C1'	111.2°	108.1°
C3'	C4'	H4'	108.9°	111.1°
C4'	C3'	O3'	107.1°	112.4°
C4'	C3'	C2'	103.5°	101.8°
C4'	C3'	H3'	114.0°	111.5°
O4'	C1'	C2'	105.2°	107.7°
O4'	C1'	N9	109.8°	109.4°
O4'	C1'	H1'	113.7°	109.1°
O3'	C3'	C2'	107.2°	111.3°
O3'	C3'	H3'	110.6°	109.4°
C3'	O3'	HO3'	109.5°	106.5°
C2'	C3'	H3'	113.9°	110.2°
C3'	C2'	C1'	101.6°	103.2°
C3'	C2'	H2'1	112.2°	112.8°
C3'	C2'	H2'2	113.8°	109.9°
C1'	C2'	H2'1	112.2°	114.1°
C1'	C2'	H2'2	113.8°	110.0°
C2'	C1'	N9	114.0°	113.8°
C2'	C1'	H1'	109.5°	111.7°
H2'1	C2'	H2'2	103.6°	106.8°
N9	C1'	H1'	104.9°	105.1°
C1'	N9	C10	125.9°	126.6°
C1'	N9	C8	126.6°	125.6°
C10	N9	C8	107.4°	107.8°
N9	C10	CD	133.7°	132.4°
N9	C10	C11	104.0°	104.4°
N9	C8	N7	112.0°	111.9°
N9	C8	H8	124.0°	122.4°
N7	C8	H8	124.0°	125.7°
C8	N7	C11	105.2°	105.0°
N7	C11	C10	111.3°	111.0°
N7	C11	CP	129.8°	130.2°
C4	C5	C6	117.3°	116.0°
C4	C5	CP	121.0°	122.0°
C5	C4	N3	123.1°	121.3°
C5	C4	CD	119.3°	119.0°
C6	C5	CP	121.7°	122.0°
C5	C6	N1	119.4°	124.1°
C5	C6	N6	122.0°	119.5°
C5	CP	C11	119.3°	118.5°
C5	CP	HP	120.3°	122.4°
N3	C4	CD	117.6°	119.7°
C4	N3	C2	112.9°	116.9°
C4	CD	C10	119.2°	118.6°
C4	CD	HD	120.4°	120.7°
N1	C6	N6	118.6°	116.5°
C6	N1	C2	117.9°	114.6°
C6	N6	HN61	109.5°	118.8°
C6	N6	HN62	109.5°	118.9°
HN61	N6	HN62	109.5°	122.0°
N1	C2	N3	129.5°	127.1°
N1	C2	H2	115.3°	116.6°
N3	C2	H2	115.3°	116.4°
CD	C10	C11	122.3°	123.2°
C10	CD	HD	120.4°	120.7°
C10	C11	CP	118.9°	118.8°
C11	CP	HP	120.3°	119.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OP3	P	O5'	OP1	114.4°	107.4°
OP3	P	O5'	OP2	114.3°	125.8°
OP3	P	OP1	OP2	124.7°	126.3°
OP3	P	OP1	HO1P	39.1°	77.5°
OP3	P	O5'	C5'	29.4°	54.2°
O5'	P	OP1	OP2	124.6°	126.6°
O5'	P	OP1	HO1P	71.6°	175.4°
P	O5'	C5'	C4'	149.4°	180.0°
P	O5'	C5'	H5'1	29.4°	59.9°
P	O5'	C5'	H5'2	91.5°	59.9°
O5'	P	OP3	HO3P	109.8°	173.9°
OP1	P	O5'	C5'	85.0°	53.2°
OP1	P	OP3	HO3P	135.8°	78.4°
OP2	P	OP1	HO1P	163.8°	48.8°
OP2	P	O5'	C5'	143.6°	180.0°
OP2	P	OP3	HO3P	4.4°	48.1°
C4'	C5'	O5'	H5'1	120.0°	120.1°
C4'	C5'	O5'	H5'2	119.1°	120.1°
C4'	C5'	H5'1	H5'2	119.2°	121.2°
C5'	C4'	O4'	C3'	123.2°	122.8°
C5'	C4'	O4'	H4'	117.3°	118.3°
C5'	C4'	C3'	H4'	117.3°	122.8°
C5'	C4'	O4'	C1'	116.2°	148.9°
C5'	C4'	C3'	O3'	155.0°	83.6°
C5'	C4'	C3'	C2'	92.0°	157.2°
C5'	C4'	C3'	H3'	32.3°	39.7°
O5'	C5'	H5'1	H5'2	119.2°	119.5°
O5'	C5'	C4'	O4'	86.8°	61.8°
O5'	C5'	C4'	C3'	30.4°	179.5°
O5'	C5'	C4'	H4'	149.9°	56.3°
H5'1	C5'	C4'	O4'	33.2°	57.8°
H5'1	C5'	C4'	C3'	150.4°	60.0°
H5'1	C5'	C4'	H4'	90.1°	175.9°
H5'2	C5'	C4'	O4'	154.0°	178.7°
H5'2	C5'	C4'	C3'	88.7°	60.9°
H5'2	C5'	C4'	H4'	30.7°	63.3°
O4'	C4'	C3'	H4'	123.3°	117.0°
O4'	C4'	C3'	O3'	85.7°	156.2°
O4'	C4'	C3'	C2'	27.4°	37.0°
O4'	C4'	C3'	H3'	151.6°	80.5°
C4'	O4'	C1'	C2'	16.2°	4.6°
C4'	O4'	C1'	N9	139.3°	128.8°
C4'	O4'	C1'	H1'	103.6°	116.8°
C3'	C4'	O4'	C1'	7.0°	26.2°
C4'	C3'	O3'	C2'	110.5°	113.4°
C4'	C3'	O3'	H3'	124.8°	124.5°
C4'	C3'	C2'	H3'	124.3°	118.4°
C4'	C3'	C2'	C1'	36.1°	33.0°
C4'	C3'	C2'	H2'1	83.9°	156.6°
C4'	C3'	C2'	H2'2	158.9°	84.3°
C4'	C3'	O3'	HO3'	160.1°	75.1°
H4'	C4'	O4'	C1'	126.5°	92.8°
H4'	C4'	C3'	O3'	37.6°	39.2°
H4'	C4'	C3'	C2'	150.7°	80.0°
H4'	C4'	C3'	H3'	85.1°	162.5°
O4'	C1'	C2'	C3'	32.4°	18.6°
O4'	C1'	C2'	N9	120.3°	121.4°
O4'	C1'	C2'	H1'	122.5°	119.8°
O4'	C1'	C2'	H2'1	87.6°	141.4°
O4'	C1'	C2'	H2'2	155.2°	98.6°
O4'	C1'	N9	H1'	122.5°	117.1°
O4'	C1'	N9	C10	88.8°	147.1°
O4'	C1'	N9	C8	90.8°	33.0°
O3'	C3'	C2'	H3'	122.7°	121.6°
O3'	C3'	C2'	C1'	76.9°	152.9°
O3'	C3'	C2'	H2'1	163.1°	83.4°
O3'	C3'	C2'	H2'2	45.9°	35.7°
C3'	C2'	C1'	H2'1	120.0°	122.8°
C3'	C2'	C1'	H2'2	122.8°	117.2°
C3'	C2'	H2'1	H2'2	123.2°	120.9°
C3'	C2'	C1'	N9	152.7°	102.8°
C3'	C2'	C1'	H1'	90.1°	138.4°
C2'	C3'	O3'	HO3'	49.6°	38.3°
H3'	C3'	C2'	C1'	160.4°	85.5°
H3'	C3'	C2'	H2'1	40.4°	38.2°
H3'	C3'	C2'	H2'2	76.8°	157.3°
H3'	C3'	O3'	HO3'	75.2°	160.4°
C1'	C2'	H2'1	H2'2	123.2°	121.8°
C2'	C1'	N9	H1'	119.8°	122.5°
C2'	C1'	N9	C10	153.5°	92.4°
C2'	C1'	N9	C8	26.9°	87.5°
H2'1	C2'	C1'	N9	32.7°	20.0°
H2'1	C2'	C1'	H1'	149.9°	98.8°
H2'2	C2'	C1'	N9	84.5°	140.0°
H2'2	C2'	C1'	H1'	32.6°	21.2°
C1'	N9	C10	C8	179.7°	180.0°
C1'	N9	C8	N7	179.6°	180.0°
C1'	N9	C8	H8	0.4°	0.1°
C1'	N9	C10	CD	0.3°	0.0°
C1'	N9	C10	C11	179.6°	180.0°
H1'	C1'	N9	C10	33.7°	30.0°
H1'	C1'	N9	C8	146.6°	150.0°
C10	N9	C8	N7	0.1°	0.0°
C10	N9	C8	H8	179.9°	179.9°
N9	C10	C11	N7	0.0°	0.0°
N9	C10	CD	C4	179.9°	179.9°
N9	C10	CD	C11	179.9°	179.9°
N9	C10	C11	CP	179.9°	179.9°
N9	C10	CD	HD	0.2°	0.0°
N9	C8	N7	H8	180.0°	179.9°
N9	C8	N7	C11	0.1°	0.0°
C8	N9	C10	CD	180.0°	180.0°
C8	N9	C10	C11	0.1°	0.0°
C8	N7	C11	C10	0.0°	0.0°
C8	N7	C11	CP	180.0°	179.9°
H8	C8	N7	C11	180.0°	180.0°
N7	C11	CP	C5	180.0°	180.0°
N7	C11	C10	CD	179.9°	180.0°
N7	C11	C10	CP	179.9°	180.0°
N7	C11	CP	HP	0.0°	0.1°
C4	C5	C6	CP	180.0°	179.9°
C5	C4	N3	CD	180.0°	180.0°
C4	C5	C6	N1	0.0°	0.0°
C4	C5	C6	N6	179.7°	179.9°
C5	C4	N3	C2	0.1°	0.0°
C5	C4	CD	C10	0.0°	0.0°
C4	C5	CP	C11	0.0°	0.0°
C4	C5	CP	HP	180.0°	179.9°
C5	C4	CD	HD	179.9°	179.9°
C6	C5	C4	N3	0.0°	0.0°
C6	C5	C4	CD	180.0°	180.0°
C5	C6	N1	N6	179.7°	179.9°
C5	C6	N6	HN61	93.8°	36.7°
C5	C6	N6	HN62	26.2°	149.6°
C5	C6	N1	C2	0.0°	0.0°
C6	C5	CP	C11	180.0°	180.0°
C6	C5	CP	HP	0.0°	0.0°
CP	C5	C4	N3	180.0°	180.0°
CP	C5	C4	CD	0.0°	0.0°
CP	C5	C6	N1	180.0°	180.0°
CP	C5	C6	N6	0.3°	0.1°
C5	CP	C11	C10	0.0°	0.0°
C5	CP	C11	HP	180.0°	179.9°
C4	N3	C2	N1	0.1°	0.0°
C4	N3	C2	H2	179.9°	180.0°
N3	C4	CD	C10	180.0°	180.0°
N3	C4	CD	HD	0.0°	0.1°
CD	C4	N3	C2	180.0°	180.0°
C4	CD	C10	HD	180.0°	179.9°
C4	CD	C10	C11	0.0°	0.0°
N1	C6	N6	HN61	85.9°	143.4°
N1	C6	N6	HN62	154.1°	30.3°
C6	N1	C2	N3	0.0°	0.0°
C6	N1	C2	H2	180.0°	180.0°
C6	N6	HN61	HN62	120.0°	173.5°
N6	C6	N1	C2	179.7°	179.9°
N1	C2	N3	H2	180.0°	180.0°
CD	C10	C11	CP	0.0°	0.0°
C10	C11	CP	HP	180.0°	179.9°
C11	C10	CD	HD	180.0°	179.9°

Definition date:	2006-09-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2ICZ