XGA

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	1.53Å
C4'	H4'	sing	1.10Å	1.10Å
O4'	C1'	sing	1.44Å	1.43Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	C2'	sing	1.51Å	1.52Å
C3'	H3'	sing	1.09Å	1.10Å
C2'	C1'	sing	1.52Å	1.52Å
C2'	H2'1	sing	1.10Å	1.10Å
C2'	H2'2	sing	1.09Å	1.10Å
C1'	N9	sing	1.46Å	1.45Å
C1'	H1'	sing	1.10Å	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
C4	N3	sing	1.41Å	1.34Å
C4	C5	doub	1.40Å	1.41Å	Aromatic
C4	CD	sing	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.48Å	1.40Å
C5	CP	sing	1.40Å	1.42Å	Aromatic
N3	C2	doub	1.30Å	1.35Å
C2	N2	sing	1.37Å	1.35Å
C2	N1	sing	1.39Å	1.35Å
N2	HN21	sing	0.99Å	1.00Å
N2	HN22	sing	0.99Å	1.00Å
N1	C6	sing	1.39Å	1.38Å
N1	HN1	sing	1.02Å	1.00Å
C6	O6	doub	1.22Å	1.23Å
C10	CD	doub	1.40Å	1.41Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C11	CP	doub	1.41Å	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'	102.6°	102.9°
OP3	P	OP1	108.3°	103.3°
OP3	P	OP2	108.4°	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'	120.7°	118.5°
OP1	P	OP2	119.8°	115.3°
P	OP1	HO1P	109.5°	118.9°
C4'	C5'	O5'	111.6°	108.7°
C4'	C5'	H5'1	108.8°	110.1°
C4'	C5'	H5'2	108.3°	110.1°
C5'	C4'	O4'	108.9°	108.0°
C5'	C4'	C3'	114.7°	112.7°
C5'	C4'	H4'	105.0°	109.4°
O5'	C5'	H5'1	108.8°	109.2°
O5'	C5'	H5'2	108.3°	109.2°
H5'1	C5'	H5'2	111.1°	109.6°
O4'	C4'	C3'	105.5°	106.8°
O4'	C4'	H4'	114.3°	107.7°
C4'	O4'	C1'	111.0°	108.7°
C3'	C4'	H4'	108.5°	112.0°
C4'	C3'	O3'	107.1°	109.6°
C4'	C3'	C2'	104.3°	103.2°
C4'	C3'	H3'	113.5°	114.0°
O4'	C1'	C2'	105.0°	106.7°
O4'	C1'	N9	109.9°	110.0°
O4'	C1'	H1'	113.8°	108.1°
O3'	C3'	C2'	107.1°	108.4°
O3'	C3'	H3'	111.0°	107.8°
C3'	O3'	HO3'	109.5°	106.5°
C2'	C3'	H3'	113.4°	113.7°
C3'	C2'	C1'	101.8°	101.6°
C3'	C2'	H2'1	112.1°	110.0°
C3'	C2'	H2'2	113.8°	114.2°
C1'	C2'	H2'1	112.1°	110.5°
C1'	C2'	H2'2	113.7°	111.7°
C2'	C1'	N9	114.0°	114.3°
C2'	C1'	H1'	109.6°	111.7°
H2'1	C2'	H2'2	103.7°	108.7°
N9	C1'	H1'	104.8°	105.9°
C1'	N9	C10	125.9°	126.6°
C1'	N9	C8	126.7°	125.6°
C10	N9	C8	107.4°	107.8°
N9	C10	CD	133.6°	132.2°
N9	C10	C11	104.1°	104.4°
N9	C8	N7	112.0°	111.9°
N9	C8	H8	124.0°	122.4°
N7	C8	H8	124.0°	125.6°
C8	N7	C11	105.2°	105.0°
N7	C11	C10	111.2°	110.9°
N7	C11	CP	129.8°	129.9°
N3	C4	C5	122.3°	122.3°
N3	C4	CD	117.9°	118.0°
C4	N3	C2	117.0°	118.9°
C5	C4	CD	119.8°	119.7°
C4	C5	C6	118.5°	118.3°
C4	C5	CP	120.5°	122.1°
C4	CD	C10	119.0°	117.6°
C4	CD	HD	120.5°	121.2°
C6	C5	CP	121.0°	119.6°
C5	C6	N1	118.2°	114.3°
C5	C6	O6	121.7°	121.6°
C5	CP	C11	119.5°	118.0°
C5	CP	HP	120.3°	121.9°
N3	C2	N2	118.0°	122.6°
N3	C2	N1	124.4°	121.7°
N2	C2	N1	117.7°	115.7°
C2	N2	HN21	109.6°	118.3°
C2	N2	HN22	125.2°	118.3°
C2	N1	C6	119.6°	124.5°
C2	N1	HN1	120.2°	117.8°
HN21	N2	HN22	125.2°	123.3°
C6	N1	HN1	120.2°	117.7°
N1	C6	O6	120.2°	124.1°
CD	C10	C11	122.2°	123.4°
C10	CD	HD	120.5°	121.3°
C10	C11	CP	119.0°	119.2°
C11	CP	HP	120.2°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OP3	P	O5'	OP1	114.3°	107.4°
OP3	P	O5'	OP2	114.4°	125.8°
OP3	P	OP1	OP2	124.9°	126.3°
OP3	P	OP1	HO1P	31.5°	77.5°
OP3	P	O5'	C5'	33.5°	54.2°
O5'	P	OP1	OP2	124.5°	126.6°
O5'	P	OP1	HO1P	79.1°	175.4°
P	O5'	C5'	C4'	164.7°	180.0°
P	O5'	C5'	H5'1	44.7°	59.9°
P	O5'	C5'	H5'2	76.2°	59.9°
O5'	P	OP3	HO3P	130.8°	173.9°
OP1	P	O5'	C5'	80.8°	53.2°
OP1	P	OP3	HO3P	114.9°	78.5°
OP2	P	OP1	HO1P	156.4°	48.8°
OP2	P	O5'	C5'	148.0°	180.0°
OP2	P	OP3	HO3P	16.6°	48.0°
C4'	C5'	O5'	H5'1	120.0°	120.1°
C4'	C5'	O5'	H5'2	119.1°	120.1°
C4'	C5'	H5'1	H5'2	119.1°	121.2°
C5'	C4'	O4'	C3'	123.7°	121.5°
C5'	C4'	O4'	H4'	117.2°	118.0°
C5'	C4'	C3'	H4'	117.1°	123.8°
C5'	C4'	O4'	C1'	125.6°	116.0°
C5'	C4'	C3'	O3'	146.6°	152.1°
C5'	C4'	C3'	C2'	100.1°	92.6°
C5'	C4'	C3'	H3'	23.8°	31.2°
O5'	C5'	H5'1	H5'2	119.2°	119.6°
O5'	C5'	C4'	O4'	95.9°	61.8°
O5'	C5'	C4'	C3'	22.1°	179.5°
O5'	C5'	C4'	H4'	141.2°	55.2°
H5'1	C5'	C4'	O4'	24.1°	57.8°
H5'1	C5'	C4'	C3'	142.1°	60.0°
H5'1	C5'	C4'	H4'	98.9°	174.7°
H5'2	C5'	C4'	O4'	144.9°	178.7°
H5'2	C5'	C4'	C3'	97.0°	60.9°
H5'2	C5'	C4'	H4'	22.0°	64.3°
O4'	C4'	C3'	H4'	122.9°	117.7°
O4'	C4'	C3'	O3'	93.5°	89.4°
O4'	C4'	C3'	C2'	19.8°	25.9°
O4'	C4'	C3'	H3'	143.7°	149.7°
C4'	O4'	C1'	C2'	23.0°	17.3°
C4'	O4'	C1'	N9	146.0°	141.8°
C4'	O4'	C1'	H1'	96.9°	103.1°
C3'	C4'	O4'	C1'	1.9°	5.5°
C4'	C3'	O3'	C2'	111.4°	111.9°
C4'	C3'	O3'	H3'	124.3°	124.6°
C4'	C3'	C2'	H3'	124.0°	123.9°
C4'	C3'	C2'	C1'	32.4°	34.8°
C4'	C3'	C2'	H2'1	152.4°	82.2°
C4'	C3'	C2'	H2'2	90.3°	155.2°
C4'	C3'	O3'	HO3'	21.9°	176.6°
H4'	C4'	O4'	C1'	117.2°	126.0°
H4'	C4'	C3'	O3'	29.5°	28.3°
H4'	C4'	C3'	C2'	142.8°	143.6°
H4'	C4'	C3'	H3'	93.3°	92.6°
O4'	C1'	C2'	C3'	34.0°	32.7°
O4'	C1'	C2'	N9	120.3°	121.8°
O4'	C1'	C2'	H1'	122.6°	117.9°
O4'	C1'	C2'	H2'1	154.0°	84.0°
O4'	C1'	C2'	H2'2	88.8°	154.9°
O4'	C1'	N9	H1'	122.6°	116.5°
O4'	C1'	N9	C10	86.3°	146.5°
O4'	C1'	N9	C8	93.5°	33.4°
O3'	C3'	C2'	H3'	122.8°	119.9°
O3'	C3'	C2'	C1'	80.8°	81.3°
O3'	C3'	C2'	H2'1	39.1°	161.6°
O3'	C3'	C2'	H2'2	156.4°	39.1°
C3'	C2'	C1'	H2'1	120.0°	116.7°
C3'	C2'	C1'	H2'2	122.8°	122.2°
C3'	C2'	H2'1	H2'2	123.1°	125.7°
C3'	C2'	C1'	N9	154.3°	154.5°
C3'	C2'	C1'	H1'	88.6°	85.2°
C2'	C3'	O3'	HO3'	89.5°	71.5°
H3'	C3'	C2'	C1'	156.4°	158.8°
H3'	C3'	C2'	H2'1	83.6°	41.7°
H3'	C3'	C2'	H2'2	33.7°	80.8°
H3'	C3'	O3'	HO3'	146.3°	52.0°
C1'	C2'	H2'1	H2'2	123.1°	122.9°
C2'	C1'	N9	H1'	119.9°	123.5°
C2'	C1'	N9	C10	156.1°	93.4°
C2'	C1'	N9	C8	24.1°	86.6°
H2'1	C2'	C1'	N9	85.7°	37.8°
H2'1	C2'	C1'	H1'	31.4°	158.1°
H2'2	C2'	C1'	N9	31.5°	83.3°
H2'2	C2'	C1'	H1'	148.6°	37.0°
C1'	N9	C10	C8	179.8°	180.0°
C1'	N9	C8	N7	179.9°	180.0°
C1'	N9	C8	H8	0.1°	0.1°
C1'	N9	C10	CD	0.1°	0.0°
C1'	N9	C10	C11	179.9°	180.0°
H1'	C1'	N9	C10	36.2°	30.0°
H1'	C1'	N9	C8	143.9°	150.0°
C10	N9	C8	N7	0.0°	0.0°
C10	N9	C8	H8	180.0°	179.9°
N9	C10	C11	N7	0.0°	0.0°
N9	C10	CD	C4	180.0°	180.0°
N9	C10	CD	C11	180.0°	180.0°
N9	C10	C11	CP	179.9°	180.0°
N9	C10	CD	HD	0.0°	0.0°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C11	0.0°	0.0°
C8	N9	C10	CD	180.0°	180.0°
C8	N9	C10	C11	0.0°	0.0°
C8	N7	C11	C10	0.0°	0.0°
C8	N7	C11	CP	179.9°	180.0°
H8	C8	N7	C11	180.0°	179.9°
N7	C11	CP	C5	180.0°	180.0°
N7	C11	C10	CD	180.0°	180.0°
N7	C11	C10	CP	180.0°	180.0°
N7	C11	CP	HP	0.0°	0.0°
N3	C4	C5	CD	180.0°	180.0°
N3	C4	C5	C6	0.0°	0.0°
N3	C4	C5	CP	179.9°	180.0°
C4	N3	C2	N2	179.6°	180.0°
C4	N3	C2	N1	0.0°	0.0°
N3	C4	CD	C10	179.9°	180.0°
N3	C4	CD	HD	0.0°	0.0°
C4	C5	C6	CP	179.9°	179.9°
C5	C4	N3	C2	0.0°	0.0°
C4	C5	C6	N1	0.0°	0.0°
C4	C5	C6	O6	179.4°	179.9°
C5	C4	CD	C10	0.1°	0.0°
C4	C5	CP	C11	0.1°	0.0°
C4	C5	CP	HP	179.9°	180.0°
C5	C4	CD	HD	179.9°	180.0°
CD	C4	C5	C6	179.9°	180.0°
CD	C4	C5	CP	0.1°	0.0°
CD	C4	N3	C2	180.0°	180.0°
C4	CD	C10	HD	180.0°	180.0°
C4	CD	C10	C11	0.0°	0.0°
C5	C6	N1	C2	0.0°	0.0°
C5	C6	N1	O6	179.4°	179.9°
C5	C6	N1	HN1	180.0°	180.0°
C6	C5	CP	C11	180.0°	180.0°
C6	C5	CP	HP	0.0°	0.0°
CP	C5	C6	N1	179.9°	180.0°
CP	C5	C6	O6	0.5°	0.1°
C5	CP	C11	C10	0.0°	0.0°
C5	CP	C11	HP	180.0°	180.0°
N3	C2	N2	N1	179.7°	180.0°
N3	C2	N2	HN21	179.7°	133.0°
N3	C2	N2	HN22	0.3°	47.1°
N3	C2	N1	C6	0.1°	0.0°
N3	C2	N1	HN1	179.9°	180.0°
C2	N2	HN21	HN22	180.0°	179.9°
N2	C2	N1	C6	179.6°	180.0°
N2	C2	N1	HN1	0.4°	0.0°
N1	C2	N2	HN21	0.0°	47.0°
N1	C2	N2	HN22	180.0°	132.9°
C2	N1	C6	HN1	180.0°	179.9°
C2	N1	C6	O6	179.4°	179.9°
HN1	N1	C6	O6	0.6°	0.1°
CD	C10	C11	CP	0.1°	0.0°
C10	C11	CP	HP	180.0°	180.0°
C11	C10	CD	HD	179.9°	180.0°

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