HP8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OS1	S	doub	1.42Å	1.46Å
NHS	S	sing	1.66Å	1.57Å
S	OS2	doub	1.42Å	1.41Å
S	O5'	sing	1.52Å	1.54Å
C6	N1	doub	1.33Å	1.34Å	Aromatic
N1	C2	sing	1.32Å	1.33Å	Aromatic
N3	C2	doub	1.32Å	1.34Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C4	N3	sing	1.33Å	1.36Å	Aromatic
N9	C4	sing	1.37Å	1.35Å	Aromatic
C5	C4	doub	1.40Å	1.40Å	Aromatic
N7	C5	sing	1.35Å	1.37Å	Aromatic
C5	C6	sing	1.41Å	1.39Å	Aromatic
N6	C6	sing	1.38Å	1.34Å
N6	HN6	sing	0.97Å	1.00Å
N6	HN6A	sing	0.97Å	1.00Å
C8	N7	doub	1.30Å	1.37Å	Aromatic
C8	N9	sing	1.36Å	1.35Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C1'	N9	sing	1.46Å	1.46Å
C21	O9	doub	1.22Å	1.22Å
O4'	C1'	sing	1.44Å	1.42Å
C2'	C1'	sing	1.55Å	1.51Å
C1'	H1'	sing	1.09Å	1.10Å
C2S	C1S	doub	1.40Å	1.40Å	Aromatic
C1S	C21	sing	1.48Å	1.47Å
C1S	C6S	sing	1.40Å	1.38Å	Aromatic
C3'	C2'	sing	1.55Å	1.52Å
C2'	O2'	sing	1.43Å	1.44Å
C2'	H2'	sing	1.09Å	1.10Å
O2'	HO2'	sing	0.97Å	0.95Å
NHS	C21	sing	1.35Å	1.33Å
O2S	C2S	sing	1.36Å	1.38Å
C3S	C2S	sing	1.39Å	1.37Å	Aromatic
O2S	HO2S	sing	0.97Å	0.95Å
O3'	C3'	sing	1.43Å	1.42Å
C3'	C4'	sing	1.54Å	1.51Å
C3'	H3'	sing	1.09Å	1.10Å
O3'	HO3'	sing	0.97Å	0.95Å
O3S	C3S	sing	1.36Å	1.33Å
C3S	C4S	doub	1.38Å	1.38Å	Aromatic
O3S	HO3S	sing	0.97Å	0.95Å
C5'	C4'	sing	1.53Å	1.51Å
C4'	O4'	sing	1.44Å	1.44Å
C4'	H4'	sing	1.09Å	1.10Å
C4S	C5S	sing	1.38Å	1.38Å	Aromatic
C4S	H4S	sing	1.08Å	1.08Å
C5'	O5'	sing	1.43Å	1.44Å
C5'	H5'	sing	1.09Å	1.10Å
C5'	H5'A	sing	1.09Å	1.10Å
C5S	C6S	doub	1.38Å	1.40Å	Aromatic
C5S	H5S	sing	1.08Å	1.08Å
C6S	H6S	sing	1.08Å	1.08Å
NHS	HNHS	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OS1	S	NHS	109.3°	106.4°
OS1	S	OS2	117.9°	123.2°
OS1	S	O5'	106.5°	106.4°
NHS	S	OS2	103.8°	106.4°
NHS	S	O5'	108.0°	107.2°
S	NHS	C21	117.2°	120.0°
S	NHS	HNHS	121.4°	120.0°
OS2	S	O5'	111.0°	106.4°
S	O5'	C5'	121.1°	114.0°
C6	N1	C2	119.3°	121.2°
N1	C6	C5	121.4°	118.5°
N1	C6	N6	118.6°	120.8°
N1	C2	N3	122.2°	122.5°
N1	C2	H2	118.9°	118.8°
N3	C2	H2	118.9°	118.7°
C2	N3	C4	120.6°	120.7°
N3	C4	N9	133.3°	134.9°
N3	C4	C5	118.8°	119.1°
N9	C4	C5	107.9°	106.0°
C4	N9	C8	107.5°	107.4°
C4	N9	C1'	125.9°	126.3°
C4	C5	N7	107.8°	107.1°
C4	C5	C6	117.7°	118.2°
N7	C5	C6	134.4°	134.7°
C5	N7	C8	106.3°	109.4°
C5	C6	N6	120.1°	120.8°
C6	N6	HN6	109.5°	120.0°
C6	N6	HN6A	109.4°	120.0°
HN6	N6	HN6A	109.5°	120.0°
N7	C8	N9	110.5°	110.0°
N7	C8	H8	124.7°	125.0°
N9	C8	H8	124.8°	125.0°
C8	N9	C1'	126.6°	126.3°
N9	C1'	O4'	107.2°	110.6°
N9	C1'	C2'	109.7°	110.6°
N9	C1'	H1'	109.5°	110.6°
O9	C21	C1S	118.1°	120.0°
O9	C21	NHS	123.8°	120.0°
O4'	C1'	C2'	104.9°	103.6°
O4'	C1'	H1'	113.9°	110.6°
C1'	O4'	C4'	110.5°	106.9°
C2'	C1'	H1'	111.6°	110.6°
C1'	C2'	C3'	104.6°	102.1°
C1'	C2'	O2'	107.8°	110.9°
C1'	C2'	H2'	113.2°	110.9°
C2S	C1S	C21	122.0°	120.2°
C2S	C1S	C6S	121.3°	119.6°
C1S	C2S	O2S	123.2°	120.1°
C1S	C2S	C3S	116.6°	119.7°
C21	C1S	C6S	116.6°	120.2°
C1S	C21	NHS	118.1°	120.0°
C1S	C6S	C5S	119.5°	120.0°
C1S	C6S	H6S	120.2°	119.9°
C3'	C2'	O2'	108.3°	110.9°
C3'	C2'	H2'	112.8°	111.0°
C2'	C3'	O3'	110.3°	110.5°
C2'	C3'	C4'	99.8°	104.2°
C2'	C3'	H3'	115.4°	110.5°
O2'	C2'	H2'	109.8°	110.8°
C2'	O2'	HO2'	109.5°	114.0°
C21	NHS	HNHS	121.4°	120.0°
O2S	C2S	C3S	120.1°	120.2°
C2S	O2S	HO2S	109.5°	114.0°
C2S	C3S	O3S	118.6°	120.0°
C2S	C3S	C4S	124.1°	120.0°
O3'	C3'	C4'	110.6°	110.5°
O3'	C3'	H3'	105.6°	110.5°
C3'	O3'	HO3'	109.5°	114.0°
C4'	C3'	H3'	115.2°	110.5°
C3'	C4'	C5'	114.8°	109.9°
C3'	C4'	O4'	103.3°	107.4°
C3'	C4'	H4'	110.7°	109.9°
O3S	C3S	C4S	117.2°	120.0°
C3S	O3S	HO3S	109.5°	113.9°
C3S	C4S	C5S	118.1°	120.3°
C3S	C4S	H4S	120.9°	119.8°
C5'	C4'	O4'	110.9°	110.0°
C5'	C4'	H4'	103.0°	110.0°
C4'	C5'	O5'	109.1°	109.5°
C4'	C5'	H5'	109.6°	109.5°
C4'	C5'	H5'A	109.6°	109.5°
O4'	C4'	H4'	114.6°	109.7°
C5S	C4S	H4S	121.0°	119.9°
C4S	C5S	C6S	120.3°	120.4°
C4S	C5S	H5S	119.9°	119.8°
O5'	C5'	H5'	109.6°	109.5°
O5'	C5'	H5'A	109.6°	109.5°
H5'	C5'	H5'A	109.4°	109.5°
C6S	C5S	H5S	119.9°	119.8°
C5S	C6S	H6S	120.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OS1	S	NHS	OS2	126.6°	132.9°
OS1	S	NHS	O5'	115.5°	113.5°
OS1	S	OS2	O5'	123.2°	123.0°
OS1	S	NHS	C21	159.5°	48.5°
OS1	S	O5'	C5'	43.6°	171.5°
OS1	S	NHS	HNHS	20.4°	131.5°
NHS	S	OS2	O5'	115.8°	114.1°
S	NHS	C21	O9	0.9°	0.0°
S	NHS	C21	C1S	178.0°	180.0°
S	NHS	C21	HNHS	180.0°	180.0°
NHS	S	O5'	C5'	73.8°	75.0°
OS2	S	NHS	C21	73.9°	178.5°
OS2	S	O5'	C5'	173.1°	38.5°
OS2	S	NHS	HNHS	106.2°	1.5°
O5'	S	NHS	C21	44.0°	65.0°
S	O5'	C5'	C4'	174.3°	180.0°
S	O5'	C5'	H5'	65.7°	60.0°
S	O5'	C5'	H5'A	54.3°	60.0°
O5'	S	NHS	HNHS	135.9°	115.0°
C6	N1	C2	N3	1.1°	0.0°
C6	N1	C2	H2	178.9°	180.0°
N1	C6	C5	C4	0.0°	0.0°
N1	C6	C5	N7	179.2°	180.0°
N1	C6	C5	N6	179.6°	180.0°
N1	C6	N6	HN6	0.0°	179.9°
N1	C6	N6	HN6A	120.0°	0.0°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	1.8°	0.1°
C2	N1	C6	C5	0.2°	0.0°
C2	N1	C6	N6	179.4°	180.0°
C2	N3	C4	N9	178.9°	180.0°
C2	N3	C4	C5	1.6°	0.0°
H2	C2	N3	C4	178.2°	180.0°
N3	C4	N9	C5	179.6°	180.0°
N3	C4	C5	N7	179.9°	180.0°
N3	C4	C5	C6	0.7°	0.0°
N3	C4	N9	C8	179.8°	180.0°
N3	C4	N9	C1'	0.3°	0.1°
N9	C4	C5	N7	0.3°	0.0°
N9	C4	C5	C6	179.7°	180.0°
C4	N9	C8	N7	0.0°	0.0°
C4	N9	C8	C1'	180.0°	179.9°
C4	N9	C8	H8	180.0°	180.0°
C4	N9	C1'	O4'	167.3°	158.5°
C4	N9	C1'	C2'	79.3°	87.2°
C4	N9	C1'	H1'	43.4°	35.7°
C4	C5	N7	C6	179.3°	180.0°
C4	C5	C6	N6	179.6°	180.0°
C4	C5	N7	C8	0.3°	0.0°
C5	C4	N9	C8	0.2°	0.0°
C5	C4	N9	C1'	179.8°	179.9°
N7	C5	C6	N6	0.4°	0.0°
C5	N7	C8	N9	0.2°	0.0°
C5	N7	C8	H8	179.8°	180.0°
C5	C6	N6	HN6	179.6°	0.0°
C5	C6	N6	HN6A	59.6°	179.9°
C6	C5	N7	C8	179.5°	180.0°
C6	N6	HN6	HN6A	120.0°	179.9°
N7	C8	N9	H8	180.0°	180.0°
N7	C8	N9	C1'	180.0°	179.9°
C8	N9	C1'	O4'	12.7°	21.4°
C8	N9	C1'	C2'	100.7°	92.9°
C8	N9	C1'	H1'	136.6°	144.2°
H8	C8	N9	C1'	0.0°	0.1°
N9	C1'	O4'	C2'	116.5°	118.6°
N9	C1'	O4'	H1'	121.2°	122.8°
N9	C1'	C2'	H1'	121.4°	122.9°
N9	C1'	C2'	C3'	94.7°	155.5°
N9	C1'	C2'	O2'	150.2°	86.3°
N9	C1'	C2'	H2'	28.5°	37.2°
N9	C1'	O4'	C4'	122.4°	158.4°
O9	C21	C1S	C2S	179.8°	0.3°
O9	C21	C1S	NHS	178.9°	180.0°
O9	C21	C1S	C6S	2.3°	180.0°
O9	C21	NHS	HNHS	179.1°	179.9°
O4'	C1'	C2'	H1'	123.8°	118.6°
O4'	C1'	C2'	C3'	20.1°	36.9°
O4'	C1'	C2'	O2'	95.0°	155.1°
O4'	C1'	C2'	H2'	143.3°	81.4°
C1'	O4'	C4'	C3'	29.6°	26.2°
C1'	O4'	C4'	C5'	153.0°	145.7°
C1'	O4'	C4'	H4'	90.9°	93.2°
C1'	C2'	C3'	O2'	114.8°	118.2°
C1'	C2'	C3'	H2'	123.4°	118.3°
C1'	C2'	O2'	H2'	123.8°	123.6°
C1'	C2'	O2'	HO2'	180.0°	180.0°
C1'	C2'	C3'	O3'	152.9°	97.8°
C1'	C2'	C3'	C4'	36.6°	20.9°
C1'	C2'	C3'	H3'	87.5°	139.5°
C2'	C1'	O4'	C4'	5.8°	39.8°
H1'	C1'	C2'	C3'	143.9°	81.6°
H1'	C1'	C2'	O2'	28.7°	36.6°
H1'	C1'	C2'	H2'	92.9°	160.1°
H1'	C1'	O4'	C4'	116.4°	78.8°
C2S	C1S	C21	C6S	177.5°	179.7°
C2S	C1S	C21	NHS	1.2°	179.7°
C1S	C2S	O2S	C3S	176.5°	180.0°
C1S	C2S	O2S	HO2S	180.0°	90.1°
C1S	C2S	C3S	O3S	180.0°	180.0°
C1S	C2S	C3S	C4S	1.9°	0.1°
C2S	C1S	C6S	C5S	1.1°	0.6°
C2S	C1S	C6S	H6S	178.9°	179.7°
C21	C1S	C2S	O2S	0.1°	0.0°
C21	C1S	C2S	C3S	176.7°	180.0°
C21	C1S	C6S	C5S	178.6°	179.7°
C21	C1S	C6S	H6S	1.3°	0.0°
C1S	C21	NHS	HNHS	2.0°	0.0°
C6S	C1S	C21	NHS	178.8°	0.0°
C6S	C1S	C2S	O2S	177.3°	179.7°
C6S	C1S	C2S	C3S	0.7°	0.3°
C1S	C6S	C5S	C4S	1.8°	0.5°
C1S	C6S	C5S	H6S	180.0°	179.8°
C1S	C6S	C5S	H5S	178.2°	179.7°
C3'	C2'	O2'	H2'	123.5°	123.7°
C3'	C2'	O2'	HO2'	67.3°	67.3°
C2'	C3'	O3'	C4'	109.4°	114.8°
C2'	C3'	O3'	H3'	125.3°	122.6°
C2'	C3'	C4'	H3'	124.3°	118.7°
C2'	C3'	O3'	HO3'	180.0°	61.4°
C2'	C3'	C4'	C5'	160.6°	121.4°
C2'	C3'	C4'	O4'	39.7°	1.9°
C2'	C3'	C4'	H4'	83.4°	117.4°
O2'	C2'	C3'	O3'	38.1°	20.4°
O2'	C2'	C3'	C4'	78.2°	139.1°
O2'	C2'	C3'	H3'	157.7°	102.3°
H2'	C2'	O2'	HO2'	56.2°	56.4°
H2'	C2'	C3'	O3'	83.6°	143.9°
H2'	C2'	C3'	C4'	160.0°	97.4°
H2'	C2'	C3'	H3'	35.9°	21.3°
O2S	C2S	C3S	O3S	3.3°	0.1°
O2S	C2S	C3S	C4S	178.6°	180.0°
C3S	C2S	O2S	HO2S	3.5°	89.9°
C2S	C3S	O3S	C4S	178.2°	179.9°
C2S	C3S	O3S	HO3S	180.0°	90.0°
C2S	C3S	C4S	C5S	1.3°	0.1°
C2S	C3S	C4S	H4S	178.7°	180.0°
O3'	C3'	C4'	H3'	119.6°	122.6°
O3'	C3'	C4'	C5'	83.3°	119.8°
O3'	C3'	C4'	O4'	155.9°	120.6°
O3'	C3'	C4'	H4'	32.8°	1.3°
C4'	C3'	O3'	HO3'	70.5°	176.2°
C3'	C4'	C5'	O4'	116.6°	118.0°
C3'	C4'	C5'	H4'	120.4°	121.1°
C3'	C4'	O4'	H4'	120.5°	119.4°
C3'	C4'	C5'	O5'	154.9°	175.0°
C3'	C4'	C5'	H5'	85.1°	55.0°
C3'	C4'	C5'	H5'A	34.9°	65.0°
H3'	C3'	O3'	HO3'	54.7°	61.3°
H3'	C3'	C4'	C5'	36.3°	2.8°
H3'	C3'	C4'	O4'	84.5°	116.8°
H3'	C3'	C4'	H4'	152.4°	123.9°
O3S	C3S	C4S	C5S	179.4°	180.0°
O3S	C3S	C4S	H4S	0.6°	0.1°
C4S	C3S	O3S	HO3S	1.8°	90.0°
C3S	C4S	C5S	H4S	180.0°	179.9°
C3S	C4S	C5S	C6S	0.6°	0.2°
C3S	C4S	C5S	H5S	179.4°	180.0°
C5'	C4'	O4'	H4'	116.1°	121.1°
C4'	C5'	O5'	H5'	120.0°	120.0°
C4'	C5'	O5'	H5'A	120.0°	120.0°
C4'	C5'	H5'	H5'A	120.2°	120.0°
O4'	C4'	C5'	O5'	38.3°	67.0°
O4'	C4'	C5'	H5'	158.3°	173.0°
O4'	C4'	C5'	H5'A	81.7°	53.0°
H4'	C4'	C5'	O5'	84.7°	53.9°
H4'	C4'	C5'	H5'	35.2°	66.1°
H4'	C4'	C5'	H5'A	155.3°	173.9°
C4S	C5S	C6S	H5S	180.0°	179.8°
C4S	C5S	C6S	H6S	178.2°	179.7°
H4S	C4S	C5S	C6S	179.4°	179.7°
H4S	C4S	C5S	H5S	0.6°	0.0°
O5'	C5'	H5'	H5'A	120.1°	120.0°
H5S	C5S	C6S	H6S	1.8°	0.0°

Definition date:	2010-08-03
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3O82