MSP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	CA	sing	1.47Å	1.47Å
N2	HN21	sing	1.01Å	1.02Å
N2	HN22	sing	1.01Å	1.02Å
CA	CB	sing	1.53Å	1.55Å
CA	C9	sing	1.51Å	1.54Å
CA	HA	sing	1.09Å	1.12Å
CB	CG	sing	1.53Å	1.54Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.12Å
CG	SD	sing	1.81Å	1.80Å
CG	HG1	sing	1.09Å	1.12Å
CG	HG2	sing	1.09Å	1.11Å
SD	CE	sing	1.81Å	1.81Å
CE	HE1	sing	1.09Å	1.12Å
CE	HE2	sing	1.09Å	1.11Å
CE	HE3	sing	1.09Å	1.11Å
C9	N8	sing	1.35Å	1.36Å
C9	O1	doub	1.21Å	1.23Å
N8	S1	sing	1.66Å	1.62Å
N8	HN8	sing	0.97Å	1.02Å
S1	O1S	doub	1.42Å	1.44Å
S1	O2S	doub	1.42Å	1.43Å
S1	O5'	sing	1.52Å	1.58Å
O5'	C5'	sing	1.43Å	1.43Å
C5'	C4'	sing	1.53Å	1.53Å
C5'	H5'1	sing	1.09Å	1.12Å
C5'	H5'2	sing	1.09Å	1.12Å
C4'	O4'	sing	1.44Å	1.42Å
C4'	C3'	sing	1.54Å	1.54Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C1'	sing	1.44Å	1.42Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	C2'	sing	1.55Å	1.52Å
C3'	H3'	sing	1.09Å	1.12Å
O3'	H2	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.41Å
C2'	C1'	sing	1.55Å	1.53Å
C2'	H1	sing	1.09Å	1.12Å
O2'	H2'	sing	0.97Å	0.95Å
C1'	N9	sing	1.46Å	1.47Å
C1'	H1'	sing	1.09Å	1.11Å
N9	C8	sing	1.38Å	1.36Å
N9	C4	sing	1.47Å	1.38Å
C8	N7	doub	1.30Å	1.35Å
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.34Å	1.38Å
C5	C6	doub	1.35Å	1.38Å
C5	C4	sing	1.53Å	1.42Å
C6	N6	sing	1.39Å	1.34Å
C6	N1	sing	1.42Å	1.36Å
N6	HN61	sing	0.97Å	1.02Å
N6	HN62	sing	0.97Å	1.02Å
N1	C2	sing	1.38Å	1.36Å
N1	HN1	sing	0.97Å	1.02Å
C2	N3	doub	1.31Å	1.36Å
C2	H3	sing	1.08Å	1.10Å
N3	C4	sing	1.47Å	1.37Å
C4	H4	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N2	HN21	110.5°	106.7°
CA	N2	HN22	114.3°	106.7°
N2	CA	CB	114.3°	109.4°
N2	CA	C9	108.7°	109.5°
N2	CA	HA	106.5°	109.5°
HN21	N2	HN22	110.4°	106.7°
CB	CA	C9	108.7°	109.5°
CB	CA	HA	106.4°	109.5°
CA	CB	CG	115.5°	109.4°
CA	CB	HB1	110.0°	109.5°
CA	CB	HB2	110.0°	109.5°
C9	CA	HA	112.3°	109.5°
CA	C9	N8	112.8°	120.0°
CA	C9	O1	118.0°	120.0°
CG	CB	HB1	110.0°	109.4°
CG	CB	HB2	110.0°	109.5°
CB	CG	SD	108.8°	109.5°
CB	CG	HG1	112.4°	109.5°
CB	CG	HG2	112.4°	109.5°
HB1	CB	HB2	100.2°	109.5°
SD	CG	HG1	112.4°	109.5°
SD	CG	HG2	112.5°	109.4°
CG	SD	CE	100.3°	100.0°
HG1	CG	HG2	98.0°	109.4°
SD	CE	HE1	115.7°	109.5°
SD	CE	HE2	100.3°	109.5°
SD	CE	HE3	115.7°	109.5°
HE1	CE	HE2	115.8°	109.4°
HE1	CE	HE3	94.7°	109.4°
HE2	CE	HE3	115.8°	109.4°
N8	C9	O1	129.0°	119.9°
C9	N8	S1	117.3°	120.0°
C9	N8	HN8	113.4°	119.9°
S1	N8	HN8	129.3°	120.0°
N8	S1	O1S	100.8°	105.8°
N8	S1	O2S	110.4°	105.8°
N8	S1	O5'	109.4°	107.4°
O1S	S1	O2S	117.4°	125.4°
O1S	S1	O5'	109.0°	105.7°
O2S	S1	O5'	109.5°	105.8°
S1	O5'	C5'	120.7°	106.8°
O5'	C5'	C4'	108.7°	109.5°
O5'	C5'	H5'1	112.5°	109.4°
O5'	C5'	H5'2	112.5°	109.5°
C4'	C5'	H5'1	112.5°	109.5°
C4'	C5'	H5'2	112.5°	109.5°
C5'	C4'	O4'	106.1°	109.9°
C5'	C4'	C3'	112.4°	109.9°
C5'	C4'	H4'	108.9°	109.8°
H5'1	C5'	H5'2	97.9°	109.5°
O4'	C4'	C3'	106.4°	107.4°
O4'	C4'	H4'	114.6°	109.9°
C4'	O4'	C1'	109.6°	106.9°
C3'	C4'	H4'	108.6°	109.9°
C4'	C3'	O3'	107.9°	110.8°
C4'	C3'	C2'	103.7°	104.0°
C4'	C3'	H3'	115.2°	110.5°
O4'	C1'	C2'	103.1°	103.5°
O4'	C1'	N9	109.8°	110.6°
O4'	C1'	H1'	113.9°	110.7°
O3'	C3'	C2'	112.6°	110.5°
O3'	C3'	H3'	106.8°	110.4°
C3'	O3'	H2	107.9°	106.8°
C2'	C3'	H3'	110.7°	110.5°
C3'	C2'	O2'	111.1°	110.8°
C3'	C2'	C1'	103.3°	102.1°
C3'	C2'	H1	115.5°	111.0°
O2'	C2'	C1'	117.0°	110.9°
O2'	C2'	H1	101.3°	110.8°
C2'	O2'	H2'	111.0°	106.8°
C1'	C2'	H1	109.3°	110.9°
C2'	C1'	N9	111.1°	110.7°
C2'	C1'	H1'	112.7°	110.6°
N9	C1'	H1'	106.3°	110.6°
C1'	N9	C8	129.8°	127.3°
C1'	N9	C4	124.6°	127.2°
C8	N9	C4	105.6°	105.5°
N9	C8	N7	113.7°	112.6°
N9	C8	H8	123.5°	123.6°
N9	C4	C5	107.3°	101.6°
N9	C4	N3	129.7°	113.1°
N9	C4	H4	109.4°	112.4°
N7	C8	H8	122.8°	123.8°
C8	N7	C5	105.2°	111.4°
N7	C5	C6	135.6°	134.2°
N7	C5	C4	108.3°	105.7°
C6	C5	C4	116.1°	120.1°
C5	C6	N6	121.1°	124.0°
C5	C6	N1	121.3°	112.0°
C5	C4	N3	123.1°	106.0°
C5	C4	H4	143.3°	112.0°
N6	C6	N1	117.6°	124.0°
C6	N6	HN61	108.1°	120.0°
C6	N6	HN62	121.1°	120.0°
C6	N1	C2	119.8°	115.8°
C6	N1	HN1	108.5°	122.1°
HN61	N6	HN62	108.1°	120.0°
C2	N1	HN1	108.5°	122.1°
N1	C2	N3	123.1°	119.1°
N1	C2	H3	118.5°	120.5°
N3	C2	H3	118.4°	120.4°
C2	N3	C4	116.6°	117.1°
N3	C4	H4	20.4°	111.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N2	HN21	HN22	127.4°	113.8°
N2	CA	CB	C9	121.6°	120.0°
N2	CA	CB	HA	117.2°	120.0°
N2	CA	C9	HA	117.5°	120.0°
N2	CA	CB	CG	50.4°	65.0°
N2	CA	CB	HB1	175.7°	175.0°
N2	CA	CB	HB2	74.9°	55.0°
N2	CA	C9	N8	17.5°	160.0°
N2	CA	C9	O1	165.9°	20.0°
HN21	N2	CA	CB	54.7°	60.0°
HN21	N2	CA	C9	176.4°	60.0°
HN21	N2	CA	HA	62.4°	180.0°
HN22	N2	CA	CB	180.0°	53.8°
HN22	N2	CA	C9	58.3°	173.8°
HN22	N2	CA	HA	62.9°	66.2°
CB	CA	C9	HA	117.5°	120.0°
CA	CB	CG	HB1	125.3°	120.0°
CA	CB	CG	HB2	125.3°	120.0°
CA	CB	HB1	HB2	115.8°	120.1°
CA	CB	CG	SD	179.4°	180.0°
CA	CB	CG	HG1	55.3°	60.0°
CA	CB	CG	HG2	54.2°	60.0°
CB	CA	C9	N8	107.5°	80.0°
CB	CA	C9	O1	69.1°	100.0°
C9	CA	CB	CG	172.0°	175.0°
C9	CA	CB	HB1	62.7°	55.0°
C9	CA	CB	HB2	46.8°	65.0°
CA	C9	N8	O1	176.1°	180.0°
CA	C9	N8	S1	178.7°	180.0°
CA	C9	N8	HN8	1.3°	0.0°
HA	CA	CB	CG	66.8°	55.0°
HA	CA	CB	HB1	58.5°	65.0°
HA	CA	CB	HB2	167.9°	175.0°
HA	CA	C9	N8	135.0°	40.0°
HA	CA	C9	O1	48.4°	140.0°
CG	CB	HB1	HB2	115.8°	120.0°
CB	CG	SD	HG1	125.3°	120.0°
CB	CG	SD	HG2	125.3°	120.1°
CB	CG	HG1	HG2	118.4°	120.0°
CB	CG	SD	CE	174.1°	180.0°
HB1	CB	CG	SD	54.1°	60.0°
HB1	CB	CG	HG1	179.4°	180.0°
HB1	CB	CG	HG2	71.1°	60.0°
HB2	CB	CG	SD	55.3°	60.0°
HB2	CB	CG	HG1	70.0°	60.0°
HB2	CB	CG	HG2	179.5°	180.0°
SD	CG	HG1	HG2	118.4°	119.9°
CG	SD	CE	HE1	54.7°	60.0°
CG	SD	CE	HE2	180.0°	60.0°
CG	SD	CE	HE3	54.7°	180.0°
HG1	CG	SD	CE	60.7°	59.9°
HG2	CG	SD	CE	48.8°	60.0°
SD	CE	HE1	HE2	116.9°	120.1°
SD	CE	HE1	HE3	121.5°	120.0°
SD	CE	HE2	HE3	125.2°	120.0°
HE1	CE	HE2	HE3	109.5°	119.9°
C9	N8	S1	HN8	180.0°	180.0°
C9	N8	S1	O1S	173.4°	177.6°
C9	N8	S1	O2S	61.8°	47.6°
C9	N8	S1	O5'	58.7°	65.0°
O1	C9	N8	S1	2.5°	0.0°
O1	C9	N8	HN8	177.5°	180.0°
N8	S1	O1S	O2S	119.9°	123.2°
N8	S1	O1S	O5'	115.0°	113.7°
N8	S1	O2S	O5'	120.5°	113.7°
N8	S1	O5'	C5'	59.9°	75.0°
HN8	N8	S1	O1S	6.6°	2.4°
HN8	N8	S1	O2S	118.2°	132.4°
HN8	N8	S1	O5'	121.2°	115.0°
O1S	S1	O2S	O5'	124.9°	123.1°
O1S	S1	O5'	C5'	49.3°	37.6°
O2S	S1	O5'	C5'	179.0°	172.4°
S1	O5'	C5'	C4'	179.5°	180.0°
S1	O5'	C5'	H5'1	55.2°	60.0°
S1	O5'	C5'	H5'2	54.2°	60.0°
O5'	C5'	C4'	H5'1	125.3°	120.0°
O5'	C5'	C4'	H5'2	125.3°	120.0°
O5'	C5'	H5'1	H5'2	118.4°	120.0°
O5'	C5'	C4'	O4'	66.2°	66.7°
O5'	C5'	C4'	C3'	49.7°	175.3°
O5'	C5'	C4'	H4'	170.0°	54.3°
C4'	C5'	H5'1	H5'2	118.4°	120.0°
C5'	C4'	O4'	C3'	119.8°	119.5°
C5'	C4'	O4'	H4'	120.1°	121.0°
C5'	C4'	C3'	H4'	120.5°	121.0°
C5'	C4'	O4'	C1'	141.1°	145.9°
C5'	C4'	C3'	O3'	127.3°	119.8°
C5'	C4'	C3'	C2'	113.0°	121.4°
C5'	C4'	C3'	H3'	8.1°	2.8°
H5'1	C5'	C4'	O4'	59.0°	53.3°
H5'1	C5'	C4'	C3'	174.9°	64.7°
H5'1	C5'	C4'	H4'	64.8°	174.3°
H5'2	C5'	C4'	O4'	168.5°	173.3°
H5'2	C5'	C4'	C3'	75.6°	55.3°
H5'2	C5'	C4'	H4'	44.7°	65.7°
O4'	C4'	C3'	H4'	123.8°	119.5°
O4'	C4'	C3'	O3'	117.0°	120.7°
O4'	C4'	C3'	C2'	2.7°	1.9°
O4'	C4'	C3'	H3'	123.8°	116.7°
C4'	O4'	C1'	C2'	36.1°	40.1°
C4'	O4'	C1'	N9	154.5°	158.7°
C4'	O4'	C1'	H1'	86.4°	78.4°
C3'	C4'	O4'	C1'	21.3°	26.4°
C4'	C3'	O3'	C2'	113.9°	114.8°
C4'	C3'	O3'	H3'	124.4°	122.7°
C4'	C3'	C2'	H3'	124.2°	118.6°
C4'	C3'	O3'	H2	180.0°	176.2°
C4'	C3'	C2'	O2'	149.4°	139.2°
C4'	C3'	C2'	C1'	23.2°	21.0°
C4'	C3'	C2'	H1	96.1°	97.3°
H4'	C4'	O4'	C1'	98.7°	93.1°
H4'	C4'	C3'	O3'	6.8°	1.2°
H4'	C4'	C3'	C2'	126.5°	117.6°
H4'	C4'	C3'	H3'	112.4°	123.8°
O4'	C1'	C2'	C3'	36.0°	37.1°
O4'	C1'	C2'	O2'	158.3°	155.2°
O4'	C1'	C2'	N9	117.5°	118.6°
O4'	C1'	C2'	H1'	123.3°	118.5°
O4'	C1'	C2'	H1	87.5°	81.2°
O4'	C1'	N9	H1'	123.7°	122.9°
O4'	C1'	N9	C8	48.0°	53.6°
O4'	C1'	N9	C4	132.9°	126.7°
O3'	C3'	C2'	H3'	119.5°	122.5°
O3'	C3'	C2'	O2'	33.0°	20.2°
O3'	C3'	C2'	C1'	93.2°	97.9°
O3'	C3'	C2'	H1	147.5°	143.8°
C2'	C3'	O3'	H2	66.1°	61.5°
C3'	C2'	O2'	C1'	118.2°	112.7°
C3'	C2'	O2'	H1	123.1°	123.7°
C3'	C2'	C1'	H1	123.4°	118.3°
C3'	C2'	O2'	H2'	180.0°	67.4°
C3'	C2'	C1'	N9	153.5°	155.7°
C3'	C2'	C1'	H1'	87.3°	81.4°
H3'	C3'	O3'	H2	55.6°	61.1°
H3'	C3'	C2'	O2'	86.5°	102.3°
H3'	C3'	C2'	C1'	147.3°	139.6°
H3'	C3'	C2'	H1	28.1°	21.3°
O2'	C2'	C1'	H1	114.3°	123.6°
O2'	C2'	C1'	N9	84.2°	86.2°
O2'	C2'	C1'	H1'	35.0°	36.7°
C1'	C2'	O2'	H2'	61.8°	180.0°
C2'	C1'	N9	H1'	123.0°	122.9°
C2'	C1'	N9	C8	65.4°	60.6°
C2'	C1'	N9	C4	113.7°	119.1°
H1	C2'	O2'	H2'	56.9°	56.3°
H1	C2'	C1'	N9	30.0°	37.4°
H1	C2'	C1'	H1'	149.2°	160.3°
C1'	N9	C8	C4	179.2°	179.7°
C1'	N9	C8	N7	179.7°	170.9°
C1'	N9	C8	H8	0.3°	9.0°
C1'	N9	C4	C5	179.5°	164.6°
C1'	N9	C4	N3	0.9°	51.4°
C1'	N9	C4	H4	1.1°	75.6°
H1'	C1'	N9	C8	171.7°	176.5°
H1'	C1'	N9	C4	9.2°	3.8°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	0.5°	2.8°
C8	N9	C4	C5	0.2°	15.7°
C8	N9	C4	N3	179.8°	128.8°
C8	N9	C4	H4	178.2°	104.1°
C4	N9	C8	N7	0.4°	9.3°
C4	N9	C8	H8	179.6°	170.7°
N9	C4	C5	N7	0.1°	17.5°
N9	C4	C5	C6	179.7°	162.0°
N9	C4	C5	N3	179.6°	118.4°
N9	C4	C5	H4	177.4°	120.1°
N9	C4	N3	C2	179.8°	151.0°
N9	C4	N3	H4	5.6°	127.6°
C8	N7	C5	C6	179.8°	166.3°
C8	N7	C5	C4	0.4°	13.1°
H8	C8	N7	C5	179.5°	177.2°
N7	C5	C6	C4	179.4°	179.4°
N7	C5	C6	N6	1.0°	5.5°
N7	C5	C6	N1	179.7°	174.4°
N7	C5	C4	N3	179.5°	135.9°
N7	C5	C4	H4	177.5°	102.6°
C5	C6	N6	N1	179.3°	179.9°
C5	C6	N6	HN61	54.7°	0.1°
C5	C6	N6	HN62	180.0°	180.0°
C5	C6	N1	C2	0.5°	39.9°
C5	C6	N1	HN1	124.8°	140.2°
C6	C5	C4	N3	0.1°	43.7°
C6	C5	C4	H4	2.9°	77.9°
C4	C5	C6	N6	179.6°	175.1°
C4	C5	C6	N1	0.3°	5.0°
C5	C4	N3	C2	0.3°	40.6°
C5	C4	N3	H4	174.9°	122.0°
C6	N6	HN61	HN62	132.7°	179.9°
N6	C6	N1	C2	179.8°	140.0°
N6	C6	N1	HN1	54.5°	39.9°
N1	C6	N6	HN61	124.6°	180.0°
N1	C6	N6	HN62	0.7°	0.0°
C6	N1	C2	HN1	125.3°	179.9°
C6	N1	C2	N3	0.2°	44.3°
C6	N1	C2	H3	179.7°	135.8°
N1	C2	N3	H3	180.0°	179.9°
N1	C2	N3	C4	0.1°	0.8°
HN1	N1	C2	N3	125.0°	135.8°
HN1	N1	C2	H3	55.0°	44.2°
C2	N3	C4	H4	174.6°	81.3°
H3	C2	N3	C4	179.9°	179.1°

Definition date:	2003-05-30
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB