NEA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CB	sing	1.47Å	1.46Å
N	HN1	sing	1.01Å	1.02Å
N	HN2	sing	1.01Å	1.02Å
CB	CG	sing	1.53Å	1.52Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.12Å
CG	SD	sing	1.81Å	1.82Å
CG	HG1	sing	1.09Å	1.12Å
CG	HG2	sing	1.09Å	1.12Å
SD	C5'	sing	1.81Å	1.80Å
C5'	C4'	sing	1.53Å	1.53Å
C5'	H5'1	sing	1.09Å	1.12Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	O4'	sing	1.44Å	1.40Å
C4'	C3'	sing	1.54Å	1.52Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C1'	sing	1.44Å	1.41Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	C2'	sing	1.55Å	1.49Å
C3'	H3'	sing	1.09Å	1.11Å
O3'	H3T	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.42Å
C2'	C1'	sing	1.55Å	1.48Å
C2'	H2'	sing	1.09Å	1.12Å
O2'	HO'2	sing	0.97Å	0.95Å
C1'	N9	sing	1.46Å	1.44Å
C1'	H1'	sing	1.09Å	1.11Å
N9	C8	sing	1.36Å	1.43Å	Aromatic
N9	C4	sing	1.37Å	1.38Å	Aromatic
C8	N7	doub	1.30Å	1.31Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.35Å	1.39Å	Aromatic
C5	C6	doub	1.41Å	1.42Å	Aromatic
C5	C4	sing	1.41Å	1.40Å	Aromatic
C6	N6	sing	1.38Å	1.34Å
C6	N1	sing	1.33Å	1.36Å	Aromatic
N6	H61	sing	0.97Å	1.02Å
N6	H62	sing	0.97Å	1.02Å
N1	C2	doub	1.32Å	1.35Å	Aromatic
C2	N3	sing	1.32Å	1.31Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	doub	1.33Å	1.43Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CB	N	HN1	115.2°	106.8°
CB	N	HN2	110.1°	106.7°
N	CB	CG	115.2°	109.5°
N	CB	HB1	110.1°	109.5°
N	CB	HB2	110.1°	109.4°
HN1	N	HN2	110.2°	106.7°
CG	CB	HB1	110.1°	109.5°
CG	CB	HB2	110.1°	109.5°
CB	CG	SD	107.7°	109.5°
CB	CG	HG1	112.9°	109.5°
CB	CG	HG2	112.9°	109.5°
HB1	CB	HB2	100.1°	109.5°
SD	CG	HG1	112.8°	109.5°
SD	CG	HG2	112.9°	109.5°
CG	SD	C5'	107.5°	100.0°
HG1	CG	HG2	97.5°	109.4°
SD	C5'	C4'	112.1°	109.5°
SD	C5'	H5'1	111.2°	109.5°
SD	C5'	H5'2	111.2°	109.5°
C4'	C5'	H5'1	111.3°	109.4°
C4'	C5'	H5'2	111.2°	109.5°
C5'	C4'	O4'	107.6°	109.9°
C5'	C4'	C3'	115.7°	109.9°
C5'	C4'	H4'	105.2°	109.9°
H5'1	C5'	H5'2	99.1°	109.5°
O4'	C4'	C3'	104.7°	107.4°
O4'	C4'	H4'	116.0°	109.9°
C4'	O4'	C1'	109.9°	107.0°
C3'	C4'	H4'	108.1°	109.8°
C4'	C3'	O3'	109.5°	110.8°
C4'	C3'	C2'	101.3°	104.0°
C4'	C3'	H3'	115.1°	110.5°
O4'	C1'	C2'	99.7°	103.5°
O4'	C1'	N9	103.6°	110.7°
O4'	C1'	H1'	120.1°	110.7°
O3'	C3'	C2'	111.0°	110.5°
O3'	C3'	H3'	106.2°	110.4°
C3'	O3'	H3T	109.5°	106.8°
C2'	C3'	H3'	113.7°	110.5°
C3'	C2'	O2'	110.6°	110.9°
C3'	C2'	C1'	101.0°	102.1°
C3'	C2'	H2'	114.4°	111.0°
O2'	C2'	C1'	110.1°	110.9°
O2'	C2'	H2'	105.9°	110.7°
C2'	O2'	HO'2	110.6°	106.8°
C1'	C2'	H2'	114.8°	110.9°
C2'	C1'	N9	113.0°	110.8°
C2'	C1'	H1'	111.7°	110.6°
N9	C1'	H1'	108.3°	110.5°
C1'	N9	C8	129.3°	126.3°
C1'	N9	C4	124.7°	126.3°
C8	N9	C4	106.1°	107.4°
N9	C8	N7	114.0°	110.0°
N9	C8	H8	126.7°	125.0°
N9	C4	C5	103.5°	106.0°
N9	C4	N3	129.7°	135.0°
N7	C8	H8	119.2°	125.1°
C8	N7	C5	101.9°	109.5°
N7	C5	C6	130.0°	134.7°
N7	C5	C4	114.5°	107.1°
C6	C5	C4	115.5°	118.2°
C5	C6	N6	122.7°	120.8°
C5	C6	N1	116.9°	118.5°
C5	C4	N3	126.8°	119.0°
N6	C6	N1	120.4°	120.7°
C6	N6	H61	122.7°	120.0°
C6	N6	H62	107.5°	120.0°
C6	N1	C2	122.8°	121.2°
H61	N6	H62	107.6°	120.0°
N1	C2	N3	126.6°	122.5°
N1	C2	H2	118.3°	118.8°
N3	C2	H2	115.0°	118.8°
C2	N3	C4	111.3°	120.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CB	N	HN1	HN2	125.3°	113.9°
N	CB	CG	HB1	125.2°	120.0°
N	CB	CG	HB2	125.3°	120.0°
N	CB	HB1	HB2	116.0°	120.0°
N	CB	CG	SD	59.2°	180.0°
N	CB	CG	HG1	66.1°	60.0°
N	CB	CG	HG2	175.6°	60.0°
HN1	N	CB	CG	180.0°	179.9°
HN1	N	CB	HB1	54.8°	60.0°
HN1	N	CB	HB2	54.7°	60.0°
HN2	N	CB	CG	54.7°	66.2°
HN2	N	CB	HB1	179.9°	53.8°
HN2	N	CB	HB2	70.6°	173.8°
CG	CB	HB1	HB2	115.9°	120.0°
CB	CG	SD	HG1	125.3°	120.0°
CB	CG	SD	HG2	125.3°	120.0°
CB	CG	HG1	HG2	118.8°	120.0°
CB	CG	SD	C5'	71.0°	180.0°
HB1	CB	CG	SD	175.6°	60.0°
HB1	CB	CG	HG1	59.1°	180.0°
HB1	CB	CG	HG2	50.3°	60.0°
HB2	CB	CG	SD	66.1°	60.0°
HB2	CB	CG	HG1	168.6°	60.0°
HB2	CB	CG	HG2	59.2°	180.0°
SD	CG	HG1	HG2	118.7°	120.0°
CG	SD	C5'	C4'	114.3°	180.0°
CG	SD	C5'	H5'1	120.5°	60.0°
CG	SD	C5'	H5'2	11.0°	60.0°
HG1	CG	SD	C5'	163.6°	60.0°
HG2	CG	SD	C5'	54.2°	60.0°
SD	C5'	C4'	H5'1	125.2°	120.0°
SD	C5'	C4'	H5'2	125.3°	120.0°
SD	C5'	H5'1	H5'2	117.1°	120.0°
SD	C5'	C4'	O4'	60.3°	61.7°
SD	C5'	C4'	C3'	177.0°	179.7°
SD	C5'	C4'	H4'	63.9°	59.3°
C4'	C5'	H5'1	H5'2	117.1°	119.9°
C5'	C4'	O4'	C3'	123.6°	119.5°
C5'	C4'	O4'	H4'	117.4°	121.0°
C5'	C4'	C3'	H4'	117.5°	121.0°
C5'	C4'	O4'	C1'	136.1°	146.0°
C5'	C4'	C3'	O3'	142.5°	119.8°
C5'	C4'	C3'	C2'	100.1°	121.4°
C5'	C4'	C3'	H3'	23.0°	2.8°
H5'1	C5'	C4'	O4'	64.9°	58.3°
H5'1	C5'	C4'	C3'	51.7°	59.7°
H5'1	C5'	C4'	H4'	170.9°	179.3°
H5'2	C5'	C4'	O4'	174.4°	178.2°
H5'2	C5'	C4'	C3'	57.7°	60.3°
H5'2	C5'	C4'	H4'	61.4°	60.7°
O4'	C4'	C3'	H4'	124.2°	119.5°
O4'	C4'	C3'	O3'	99.2°	120.7°
O4'	C4'	C3'	C2'	18.1°	1.9°
O4'	C4'	C3'	H3'	141.3°	116.7°
C4'	O4'	C1'	C2'	37.8°	40.1°
C4'	O4'	C1'	N9	154.6°	158.8°
C4'	O4'	C1'	H1'	84.5°	78.4°
C3'	C4'	O4'	C1'	12.5°	26.4°
C4'	C3'	O3'	C2'	111.1°	114.8°
C4'	C3'	O3'	H3'	124.9°	122.7°
C4'	C3'	C2'	H3'	124.1°	118.6°
C4'	C3'	O3'	H3T	180.0°	176.2°
C4'	C3'	C2'	O2'	156.7°	139.2°
C4'	C3'	C2'	C1'	40.2°	21.0°
C4'	C3'	C2'	H2'	83.7°	97.3°
H4'	C4'	O4'	C1'	106.5°	93.0°
H4'	C4'	C3'	O3'	25.0°	1.2°
H4'	C4'	C3'	C2'	142.3°	117.6°
H4'	C4'	C3'	H3'	94.5°	123.8°
O4'	C1'	C2'	C3'	47.7°	37.1°
O4'	C1'	C2'	O2'	164.5°	155.3°
O4'	C1'	C2'	N9	109.4°	118.6°
O4'	C1'	C2'	H1'	128.1°	118.5°
O4'	C1'	C2'	H2'	76.0°	81.2°
O4'	C1'	N9	H1'	128.6°	122.9°
O4'	C1'	N9	C8	69.3°	28.6°
O4'	C1'	N9	C4	110.0°	151.8°
O3'	C3'	C2'	H3'	119.7°	122.5°
O3'	C3'	C2'	O2'	40.5°	20.3°
O3'	C3'	C2'	C1'	76.0°	98.0°
O3'	C3'	C2'	H2'	160.0°	143.8°
C2'	C3'	O3'	H3T	68.9°	61.5°
C3'	C2'	O2'	C1'	110.7°	112.7°
C3'	C2'	O2'	H2'	124.5°	123.7°
C3'	C2'	C1'	H2'	123.7°	118.3°
C3'	C2'	O2'	HO'2	180.0°	67.3°
C3'	C2'	C1'	N9	157.1°	155.7°
C3'	C2'	C1'	H1'	80.4°	81.4°
H3'	C3'	O3'	H3T	55.2°	61.1°
H3'	C3'	C2'	O2'	79.2°	102.2°
H3'	C3'	C2'	C1'	164.3°	139.6°
H3'	C3'	C2'	H2'	40.4°	21.3°
O2'	C2'	C1'	H2'	119.5°	123.5°
O2'	C2'	C1'	N9	86.0°	86.1°
O2'	C2'	C1'	H1'	36.5°	36.8°
C1'	C2'	O2'	HO'2	69.3°	180.0°
C2'	C1'	N9	H1'	124.4°	122.9°
C2'	C1'	N9	C8	37.7°	85.6°
C2'	C1'	N9	C4	143.0°	94.0°
H2'	C2'	O2'	HO'2	55.5°	56.4°
H2'	C2'	C1'	N9	33.4°	37.4°
H2'	C2'	C1'	H1'	155.9°	160.3°
C1'	N9	C8	C4	179.4°	179.7°
C1'	N9	C8	N7	179.5°	180.0°
C1'	N9	C8	H8	0.6°	0.1°
C1'	N9	C4	C5	179.5°	179.9°
C1'	N9	C4	N3	0.5°	0.9°
H1'	C1'	N9	C8	162.1°	151.5°
H1'	C1'	N9	C4	18.6°	28.9°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	0.0°	0.0°
C8	N9	C4	C5	0.0°	0.5°
C8	N9	C4	N3	180.0°	179.4°
C4	N9	C8	N7	0.0°	0.3°
C4	N9	C8	H8	180.0°	179.7°
N9	C4	C5	N7	0.0°	0.5°
N9	C4	C5	C6	179.9°	179.8°
N9	C4	C5	N3	180.0°	179.2°
N9	C4	N3	C2	179.9°	179.6°
C8	N7	C5	C6	179.9°	179.9°
C8	N7	C5	C4	0.0°	0.3°
H8	C8	N7	C5	180.0°	179.9°
N7	C5	C6	C4	179.9°	179.6°
N7	C5	C6	N6	0.1°	0.0°
N7	C5	C6	N1	179.9°	179.9°
N7	C5	C4	N3	180.0°	179.7°
C5	C6	N6	N1	179.7°	179.9°
C5	C6	N6	H61	180.0°	179.9°
C5	C6	N6	H62	54.7°	0.0°
C5	C6	N1	C2	0.1°	0.0°
C6	C5	C4	N3	0.1°	0.6°
C4	C5	C6	N6	179.8°	179.6°
C4	C5	C6	N1	0.0°	0.3°
C5	C4	N3	C2	0.2°	0.7°
C6	N6	H61	H62	125.3°	179.9°
N6	C6	N1	C2	179.9°	180.0°
N1	C6	N6	H61	0.3°	0.1°
N1	C6	N6	H62	125.6°	180.0°
C6	N1	C2	N3	0.1°	0.0°
C6	N1	C2	H2	179.9°	179.9°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.1°	0.4°
H2	C2	N3	C4	179.9°	179.7°

Definition date:	2000-11-07
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1G38