NCX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	OP3	sing	1.62Å	1.61Å
P	OP1	doub	1.50Å	1.48Å
P	O5'	sing	1.62Å	1.61Å
P	OP2	sing	1.62Å	1.48Å
OP2	HOP2	sing	0.98Å	0.95Å
OP3	HOP3	sing	0.98Å	0.95Å
O5'	C5'	sing	1.42Å	1.42Å
C5'	C4'	sing	1.52Å	1.53Å
C5'	H5'	sing	1.09Å	1.10Å
C5'	H5''	sing	1.09Å	1.10Å
C4'	O4'	sing	1.44Å	1.42Å
C4'	C3'	sing	1.52Å	1.53Å
C4'	H4'	sing	1.10Å	1.10Å
O4'	C1'	sing	1.44Å	1.42Å
C1'	N9	sing	1.46Å	1.48Å
C1'	C2'	sing	1.52Å	1.53Å
C1'	H1'	sing	1.10Å	1.10Å
N9	C4	sing	1.38Å	1.35Å	Aromatic
N9	C8	sing	1.37Å	1.39Å	Aromatic
C8	C7	doub	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C7	C5	sing	1.42Å	1.43Å	Aromatic
C7	CO7	sing	1.43Å	1.48Å
CO7	NH7	sing	1.40Å	1.33Å
CO7	O7	doub	1.25Å	1.21Å
NH7	HH71	sing	1.01Å	1.00Å
NH7	HH72	sing	1.01Å	1.00Å
C5	C6	doub	1.41Å	1.39Å	Aromatic
C5	C4	sing	1.40Å	1.37Å	Aromatic
C4	C3	doub	1.40Å	1.39Å	Aromatic
C3	C2	sing	1.40Å	1.39Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C2	C1	doub	1.39Å	1.40Å	Aromatic
C2	H2	sing	1.09Å	1.08Å
C1	N1	sing	1.42Å	1.48Å
C1	C6	sing	1.40Å	1.41Å	Aromatic
N1	O12	sing	1.25Å	1.22Å
N1	O11	doub	1.25Å	1.22Å
C6	H6	sing	1.09Å	1.08Å
C3'	C2'	sing	1.51Å	1.52Å
C3'	O3'	sing	1.43Å	1.42Å
C3'	H3'	sing	1.09Å	1.10Å
C2'	H2'	sing	1.10Å	1.10Å
C2'	H2''	sing	1.09Å	1.10Å
O3'	HO3'	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OP3	P	OP1	108.0°	115.3°
OP3	P	O5'	102.0°	103.7°
OP3	P	OP2	108.7°	103.3°
P	OP3	HOP3	109.5°	118.9°
OP1	P	O5'	108.4°	115.0°
OP1	P	OP2	119.9°	115.0°
O5'	P	OP2	108.4°	102.9°
P	O5'	C5'	120.9°	118.5°
P	OP2	HOP2	109.5°	118.9°
O5'	C5'	C4'	111.9°	108.7°
O5'	C5'	H5'	108.6°	109.2°
O5'	C5'	H5''	108.1°	109.2°
C4'	C5'	H5'	108.7°	110.1°
C4'	C5'	H5''	108.1°	110.1°
C5'	C4'	O4'	110.5°	108.0°
C5'	C4'	C3'	113.1°	112.7°
C5'	C4'	H4'	105.7°	109.4°
H5'	C5'	H5''	111.4°	109.6°
O4'	C4'	C3'	108.0°	106.8°
O4'	C4'	H4'	111.1°	107.7°
C4'	O4'	C1'	108.3°	108.7°
C3'	C4'	H4'	108.4°	112.0°
C4'	C3'	C2'	101.6°	103.2°
C4'	C3'	O3'	107.3°	109.6°
C4'	C3'	H3'	117.1°	114.0°
O4'	C1'	N9	109.7°	110.0°
O4'	C1'	C2'	104.6°	106.7°
O4'	C1'	H1'	114.9°	108.1°
N9	C1'	C2'	115.7°	114.3°
N9	C1'	H1'	103.6°	105.9°
C1'	N9	C4	123.6°	125.8°
C1'	N9	C8	129.6°	124.6°
C2'	C1'	H1'	108.8°	111.7°
C1'	C2'	C3'	100.9°	101.6°
C1'	C2'	H2'	112.4°	110.5°
C1'	C2'	H2''	114.2°	111.7°
C4	N9	C8	106.8°	109.7°
N9	C4	C5	111.2°	107.4°
N9	C4	C3	126.6°	130.0°
N9	C8	C7	109.6°	108.2°
N9	C8	H8	125.2°	120.6°
C7	C8	H8	125.2°	131.2°
C8	C7	C5	105.5°	107.7°
C8	C7	CO7	121.2°	124.2°
C5	C7	CO7	133.3°	128.1°
C7	C5	C6	132.5°	134.2°
C7	C5	C4	106.9°	107.1°
C7	CO7	NH7	118.6°	118.4°
C7	CO7	O7	125.3°	122.2°
NH7	CO7	O7	116.1°	119.4°
CO7	NH7	HH71	108.5°	118.9°
CO7	NH7	HH72	125.7°	122.2°
HH71	NH7	HH72	125.8°	118.9°
C6	C5	C4	120.5°	118.7°
C5	C6	C1	118.6°	119.2°
C5	C6	H6	120.7°	120.1°
C5	C4	C3	122.1°	122.7°
C4	C3	C2	118.1°	117.6°
C4	C3	H3	121.0°	121.7°
C2	C3	H3	120.9°	120.7°
C3	C2	C1	120.8°	121.1°
C3	C2	H2	119.6°	118.6°
C1	C2	H2	119.6°	120.3°
C2	C1	N1	119.6°	119.7°
C2	C1	C6	119.8°	120.8°
N1	C1	C6	120.6°	119.5°
C1	N1	O12	116.8°	119.0°
C1	N1	O11	118.5°	119.0°
C1	C6	H6	120.7°	120.7°
O12	N1	O11	124.8°	122.1°
C2'	C3'	O3'	113.3°	108.4°
C2'	C3'	H3'	111.5°	113.7°
C3'	C2'	H2'	112.4°	110.0°
C3'	C2'	H2''	114.2°	114.2°
O3'	C3'	H3'	106.2°	107.8°
C3'	O3'	HO3'	109.5°	106.6°
H2'	C2'	H2''	103.1°	108.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OP3	P	OP1	O5'	109.8°	120.6°
OP3	P	OP1	OP2	125.1°	120.1°
OP3	P	O5'	OP2	114.5°	107.4°
OP3	P	OP2	HOP2	59.3°	78.5°
OP3	P	O5'	C5'	76.4°	53.2°
OP1	P	O5'	OP2	131.6°	125.8°
OP1	P	OP2	HOP2	65.6°	48.0°
OP1	P	OP3	HOP3	14.6°	48.8°
OP1	P	O5'	C5'	37.5°	180.0°
O5'	P	OP2	HOP2	169.3°	173.9°
O5'	P	OP3	HOP3	99.5°	175.4°
P	O5'	C5'	C4'	174.6°	180.0°
P	O5'	C5'	H5'	54.6°	59.9°
P	O5'	C5'	H5''	66.5°	59.9°
OP2	P	OP3	HOP3	146.2°	77.5°
OP2	P	O5'	C5'	169.1°	54.2°
O5'	C5'	C4'	H5'	120.0°	119.6°
O5'	C5'	C4'	H5''	118.9°	119.5°
O5'	C5'	H5'	H5''	119.0°	119.6°
O5'	C5'	C4'	O4'	80.1°	61.8°
O5'	C5'	C4'	C3'	41.1°	179.5°
O5'	C5'	C4'	H4'	159.5°	55.2°
C4'	C5'	H5'	H5''	119.0°	121.2°
C5'	C4'	O4'	C3'	124.2°	121.5°
C5'	C4'	O4'	H4'	117.1°	118.0°
C5'	C4'	C3'	H4'	116.9°	123.8°
C5'	C4'	O4'	C1'	131.6°	116.0°
C5'	C4'	C3'	C2'	104.3°	92.6°
C5'	C4'	C3'	O3'	136.6°	152.1°
C5'	C4'	C3'	H3'	17.4°	31.2°
H5'	C5'	C4'	O4'	159.9°	57.8°
H5'	C5'	C4'	C3'	78.9°	60.0°
H5'	C5'	C4'	H4'	39.5°	174.7°
H5''	C5'	C4'	O4'	38.8°	178.7°
H5''	C5'	C4'	C3'	160.0°	60.9°
H5''	C5'	C4'	H4'	81.6°	64.3°
O4'	C4'	C3'	H4'	120.5°	117.7°
C4'	O4'	C1'	N9	155.0°	141.8°
C4'	O4'	C1'	C2'	30.4°	17.3°
C4'	O4'	C1'	H1'	88.8°	103.1°
O4'	C4'	C3'	C2'	18.3°	25.9°
O4'	C4'	C3'	O3'	100.8°	89.4°
O4'	C4'	C3'	H3'	140.0°	149.7°
C3'	C4'	O4'	C1'	7.4°	5.5°
C4'	C3'	C2'	C1'	34.7°	34.8°
C4'	C3'	C2'	O3'	114.7°	116.2°
C4'	C3'	C2'	H3'	125.5°	123.9°
C4'	C3'	O3'	H3'	126.0°	124.6°
C4'	C3'	C2'	H2'	154.7°	82.2°
C4'	C3'	C2'	H2''	88.3°	155.2°
C4'	C3'	O3'	HO3'	167.1°	46.6°
H4'	C4'	O4'	C1'	111.4°	126.0°
H4'	C4'	C3'	C2'	138.8°	143.6°
H4'	C4'	C3'	O3'	19.7°	28.3°
H4'	C4'	C3'	H3'	99.5°	92.6°
O4'	C1'	N9	C2'	117.9°	120.0°
O4'	C1'	N9	H1'	123.1°	116.5°
O4'	C1'	C2'	H1'	123.2°	117.9°
O4'	C1'	N9	C4	81.8°	146.5°
O4'	C1'	N9	C8	98.7°	33.4°
O4'	C1'	C2'	C3'	40.8°	32.7°
O4'	C1'	C2'	H2'	160.8°	84.0°
O4'	C1'	C2'	H2''	82.1°	154.9°
N9	C1'	C2'	H1'	116.1°	120.3°
C1'	N9	C4	C8	179.6°	179.9°
C1'	N9	C8	C7	178.0°	180.0°
C1'	N9	C8	H8	1.9°	0.0°
C1'	N9	C4	C5	178.7°	180.0°
C1'	N9	C4	C3	3.1°	0.0°
N9	C1'	C2'	C3'	161.6°	154.5°
N9	C1'	C2'	H2'	78.4°	37.8°
N9	C1'	C2'	H2''	38.6°	83.3°
C2'	C1'	N9	C4	160.3°	93.5°
C2'	C1'	N9	C8	19.2°	86.6°
C1'	C2'	C3'	H2'	120.0°	117.0°
C1'	C2'	C3'	H2''	123.0°	120.4°
C1'	C2'	C3'	O3'	80.1°	81.3°
C1'	C2'	C3'	H3'	160.2°	158.8°
C1'	C2'	H2'	H2''	123.4°	122.9°
H1'	C1'	N9	C4	41.4°	30.0°
H1'	C1'	N9	C8	138.1°	150.0°
H1'	C1'	C2'	C3'	82.4°	85.2°
H1'	C1'	C2'	H2'	37.6°	158.1°
H1'	C1'	C2'	H2''	154.6°	37.0°
C4	N9	C8	C7	1.5°	0.1°
C4	N9	C8	H8	178.5°	179.9°
N9	C4	C5	C7	0.1°	0.0°
N9	C4	C5	C6	177.0°	180.0°
N9	C4	C5	C3	178.3°	180.0°
N9	C4	C3	C2	176.0°	180.0°
N9	C4	C3	H3	4.0°	0.1°
N9	C8	C7	H8	180.0°	179.9°
N9	C8	C7	C5	1.6°	0.1°
N9	C8	C7	CO7	179.4°	180.0°
C8	N9	C4	C5	0.9°	0.0°
C8	N9	C4	C3	177.3°	180.0°
C8	C7	C5	CO7	178.9°	180.0°
C8	C7	CO7	NH7	174.1°	0.1°
C8	C7	CO7	O7	4.3°	179.1°
C8	C7	C5	C6	175.6°	180.0°
C8	C7	C5	C4	1.0°	0.1°
H8	C8	C7	C5	178.5°	179.9°
H8	C8	C7	CO7	0.6°	0.1°
C5	C7	CO7	NH7	7.2°	180.0°
C5	C7	CO7	O7	174.4°	0.9°
C7	C5	C6	C4	176.3°	179.9°
C7	C5	C4	C3	178.4°	180.0°
C7	C5	C6	C1	174.4°	180.0°
C7	C5	C6	H6	5.6°	0.1°
C7	CO7	NH7	O7	178.5°	179.2°
C7	CO7	NH7	HH71	0.0°	0.1°
C7	CO7	NH7	HH72	180.0°	180.0°
CO7	C7	C5	C6	3.3°	0.0°
CO7	C7	C5	C4	179.9°	180.0°
CO7	NH7	HH71	HH72	180.0°	180.0°
O7	CO7	NH7	HH71	178.5°	179.1°
O7	CO7	NH7	HH72	1.5°	0.9°
C6	C5	C4	C3	1.3°	0.0°
C5	C6	C1	C2	4.1°	0.0°
C5	C6	C1	N1	173.2°	180.0°
C5	C6	C1	H6	180.0°	179.9°
C5	C4	C3	C2	2.1°	0.0°
C5	C4	C3	H3	178.0°	180.0°
C4	C5	C6	C1	1.9°	0.0°
C4	C5	C6	H6	178.2°	180.0°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	C1	0.3°	0.0°
C4	C3	C2	H2	179.7°	179.9°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	N1	174.0°	180.0°
C3	C2	C1	C6	3.4°	0.0°
H3	C3	C2	C1	179.7°	179.9°
H3	C3	C2	H2	0.3°	0.0°
C2	C1	N1	C6	177.4°	180.0°
C2	C1	N1	O12	156.7°	0.0°
C2	C1	N1	O11	22.2°	180.0°
C2	C1	C6	H6	175.9°	180.0°
H2	C2	C1	N1	6.0°	0.1°
H2	C2	C1	C6	176.6°	179.9°
C1	N1	O12	O11	178.8°	180.0°
N1	C1	C6	H6	6.7°	0.1°
C6	C1	N1	O12	20.7°	180.0°
C6	C1	N1	O11	160.4°	0.0°
C2'	C3'	O3'	H3'	122.7°	123.5°
C3'	C2'	H2'	H2''	123.5°	125.7°
C2'	C3'	O3'	HO3'	81.6°	65.3°
O3'	C3'	C2'	H2'	39.9°	161.6°
O3'	C3'	C2'	H2''	157.0°	39.1°
H3'	C3'	C2'	H2'	79.8°	41.7°
H3'	C3'	C2'	H2''	37.2°	80.8°
H3'	C3'	O3'	HO3'	41.1°	171.2°

Definition date:	2007-01-25
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI