PRD_900048

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C1	O5	sing	1.43Å	1.48Å
C1	O1	sing	1.43Å	1.41Å
C2	C3	sing	1.53Å	1.49Å
C2	O2	sing	1.43Å	1.41Å
C3	O3	sing	1.43Å	1.41Å
C3	C4	sing	1.53Å	1.52Å
C4	O4	sing	1.43Å	1.46Å
C4	C5	sing	1.53Å	1.55Å
C5	C6	sing	1.53Å	1.54Å
C5	O5	sing	1.43Å	1.42Å
C6	O6	sing	1.43Å	1.43Å
O1	C4'	sing	1.43Å	1.45Å
C1'	C2'	sing	1.53Å	1.47Å
C1'	O1'	sing	1.43Å	1.41Å
C1'	O5'	sing	1.43Å	1.43Å
C2'	C3'	sing	1.53Å	1.49Å
C3'	O3'	sing	1.43Å	1.42Å
C3'	C4'	sing	1.53Å	1.56Å
C4'	C5'	sing	1.53Å	1.54Å
C5'	C6'	sing	1.53Å	1.51Å
C5'	O5'	sing	1.43Å	1.45Å
C6'	O6'	sing	1.43Å	1.42Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
C1'	H1'	sing	1.09Å	1.10Å
C2'	H2'1	sing	1.09Å	1.10Å
C2'	H2'2	sing	1.09Å	1.10Å
C3'	H3'	sing	1.09Å	1.10Å
C4'	H4'	sing	1.09Å	1.10Å
C5'	H5'	sing	1.09Å	1.10Å
C6'	H6'1	sing	1.09Å	1.10Å
C6'	H6'2	sing	1.09Å	1.10Å
O1'	HO1'	sing	0.97Å	0.95Å
O3'	HO3'	sing	0.97Å	0.95Å
O6'	HO6'	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	110.9°	109.4°
C2	C1	O1	107.4°	109.5°
C1	C2	C3	108.9°	109.1°
C1	C2	O2	113.2°	109.5°
C2	C1	H1	111.0°	109.5°
C1	C2	H2	108.2°	109.5°
O5	C1	O1	102.1°	109.5°
C1	O5	C5	115.4°	114.1°
O5	C1	H1	112.0°	109.4°
C1	O1	C4'	112.4°	114.0°
O1	C1	H1	113.1°	109.5°
C3	C2	O2	107.3°	109.5°
C2	C3	O3	108.2°	109.5°
C2	C3	C4	109.7°	109.0°
C3	C2	H2	108.9°	109.5°
C2	C3	H3	108.2°	109.6°
O2	C2	H2	110.1°	109.6°
C2	O2	HO2	109.5°	114.0°
O3	C3	C4	113.3°	109.5°
O3	C3	H3	109.3°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	108.2°	109.5°
C3	C4	C5	108.0°	109.2°
C4	C3	H3	107.9°	109.7°
C3	C4	H4	109.2°	109.5°
O4	C4	C5	112.6°	109.5°
O4	C4	H4	110.0°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C5	C6	108.0°	109.5°
C4	C5	O5	109.2°	109.4°
C5	C4	H4	108.8°	109.6°
C4	C5	H5	111.7°	109.5°
C6	C5	O5	101.6°	109.5°
C5	C6	O6	116.6°	109.5°
C6	C5	H5	112.0°	109.5°
C5	C6	H61	107.7°	109.4°
C5	C6	H62	107.6°	109.5°
O5	C5	H5	113.9°	109.5°
O6	C6	H61	107.6°	109.5°
O6	C6	H62	107.7°	109.5°
C6	O6	HO6	109.5°	114.0°
O1	C4'	C3'	112.7°	109.5°
O1	C4'	C5'	107.0°	109.5°
O1	C4'	H4'	113.0°	109.5°
C2'	C1'	O1'	105.1°	109.5°
C2'	C1'	O5'	115.2°	109.4°
C1'	C2'	C3'	107.6°	109.1°
C2'	C1'	H1'	108.2°	109.5°
C1'	C2'	H2'1	109.9°	109.5°
C1'	C2'	H2'2	109.9°	109.5°
O1'	C1'	O5'	110.6°	109.5°
O1'	C1'	H1'	108.9°	109.5°
C1'	O1'	HO1'	109.5°	114.0°
C1'	O5'	C5'	121.8°	114.1°
O5'	C1'	H1'	108.6°	109.5°
C2'	C3'	O3'	108.5°	109.5°
C2'	C3'	C4'	110.7°	109.0°
C3'	C2'	H2'1	109.9°	109.5°
C3'	C2'	H2'2	109.9°	109.6°
C2'	C3'	H3'	106.9°	109.6°
O3'	C3'	C4'	116.3°	109.5°
O3'	C3'	H3'	107.8°	109.5°
C3'	O3'	HO3'	109.5°	114.0°
C3'	C4'	C5'	100.6°	109.2°
C4'	C3'	H3'	106.2°	109.7°
C3'	C4'	H4'	111.3°	109.6°
C4'	C5'	C6'	104.8°	109.5°
C4'	C5'	O5'	105.8°	109.4°
C5'	C4'	H4'	111.5°	109.5°
C4'	C5'	H5'	113.3°	109.4°
C6'	C5'	O5'	103.3°	109.5°
C5'	C6'	O6'	110.1°	109.5°
C6'	C5'	H5'	113.8°	109.5°
C5'	C6'	H6'1	109.3°	109.5°
C5'	C6'	H6'2	109.3°	109.4°
O5'	C5'	H5'	114.8°	109.4°
O6'	C6'	H6'1	109.3°	109.5°
O6'	C6'	H6'2	109.3°	109.5°
C6'	O6'	HO6'	109.5°	114.0°
H61	C6	H62	109.5°	109.5°
H2'1	C2'	H2'2	109.5°	109.6°
H6'1	C6'	H6'2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	O1	114.1°	120.0°
C2	C1	O5	H1	124.6°	120.0°
C2	C1	O1	H1	122.8°	120.0°
C1	C2	C3	O2	122.9°	119.9°
C1	C2	C3	H2	117.9°	119.9°
C1	C2	O2	H2	121.3°	120.2°
C1	C2	C3	O3	176.2°	176.9°
C1	C2	C3	C4	59.7°	57.0°
C2	C1	O5	C5	54.0°	61.2°
C2	C1	O1	C4'	178.0°	167.6°
C1	C2	C3	H3	57.8°	63.0°
C1	C2	O2	HO2	180.0°	60.1°
O5	C1	O1	H1	120.5°	120.0°
O5	C1	C2	C3	53.4°	57.6°
O5	C1	C2	O2	172.7°	177.5°
C1	O5	C5	C4	56.4°	61.2°
C1	O5	C5	C6	170.3°	178.9°
O5	C1	O1	C4'	61.4°	72.5°
O5	C1	C2	H2	64.9°	62.2°
C1	O5	C5	H5	69.1°	58.8°
O1	C1	C2	C3	57.3°	62.4°
O1	C1	C2	O2	61.9°	57.5°
O1	C1	O5	C5	60.2°	58.8°
C1	O1	C4'	C3'	83.9°	85.3°
C1	O1	C4'	C5'	166.4°	155.0°
O1	C1	C2	H2	175.7°	177.7°
C1	O1	C4'	H4'	43.3°	34.9°
C3	C2	O2	H2	118.4°	120.2°
C2	C3	O3	C4	121.9°	119.5°
C2	C3	O3	H3	117.7°	120.2°
C2	C3	C4	H3	117.7°	119.9°
C2	C3	C4	O4	175.3°	176.9°
C2	C3	C4	C5	62.6°	57.0°
C3	C2	C1	H1	178.6°	177.6°
C2	C3	C4	H4	55.6°	63.0°
C3	C2	O2	HO2	59.8°	179.7°
C2	C3	O3	HO3	180.0°	59.9°
O2	C2	C3	O3	53.2°	63.2°
O2	C2	C3	C4	177.4°	176.9°
O2	C2	C1	H1	62.2°	62.5°
O2	C2	C3	H3	65.1°	56.9°
O3	C3	C4	H3	121.2°	120.2°
O3	C3	C4	O4	54.2°	63.2°
O3	C3	C4	C5	176.4°	176.9°
O3	C3	C2	H2	66.0°	57.0°
O3	C3	C4	H4	65.5°	56.8°
C3	C4	O4	C5	119.3°	119.7°
C3	C4	O4	H4	119.2°	120.1°
C3	C4	C5	H4	118.5°	120.0°
C3	C4	C5	C6	168.8°	177.6°
C3	C4	C5	O5	59.2°	57.7°
C4	C3	C2	H2	58.2°	62.9°
C3	C4	C5	H5	67.7°	62.3°
C4	C3	O3	HO3	58.1°	179.5°
C3	C4	O4	HO4	180.0°	60.0°
O4	C4	C5	H4	122.2°	120.2°
O4	C4	C5	C6	71.8°	62.5°
O4	C4	C5	O5	178.5°	177.5°
O4	C4	C3	H3	67.0°	57.0°
O4	C4	C5	H5	51.7°	57.6°
C4	C5	C6	O5	114.8°	119.9°
C4	C5	C6	H5	123.3°	120.1°
C4	C5	O5	H5	125.6°	120.0°
C4	C5	C6	O6	52.3°	175.0°
C5	C4	C3	H3	55.1°	62.9°
C4	C5	C6	H61	173.4°	55.0°
C4	C5	C6	H62	68.7°	64.9°
C5	C4	O4	HO4	60.7°	179.7°
C6	C5	O5	H5	120.5°	120.1°
C5	C6	O6	H61	121.1°	119.9°
C5	C6	O6	H62	121.0°	120.0°
C6	C5	C4	H4	50.3°	57.6°
C5	C6	H61	H62	116.7°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	62.5°	65.1°
C5	O5	C1	H1	178.5°	178.8°
O5	C5	C4	H4	59.3°	62.3°
O5	C5	C6	H61	58.5°	174.9°
O5	C5	C6	H62	176.4°	54.9°
O6	C6	C5	H5	175.6°	54.9°
O6	C6	H61	H62	116.7°	120.0°
O1	C4'	C3'	C2'	171.9°	176.9°
O1	C4'	C3'	O3'	47.5°	63.3°
O1	C4'	C3'	C5'	113.6°	119.9°
O1	C4'	C3'	H4'	128.1°	120.1°
O1	C4'	C5'	H4'	124.0°	120.1°
O1	C4'	C5'	C6'	70.7°	62.5°
O1	C4'	C5'	O5'	179.6°	177.5°
C4'	O1	C1	H1	59.1°	47.5°
O1	C4'	C3'	H3'	72.4°	57.0°
O1	C4'	C5'	H5'	53.8°	57.6°
C2'	C1'	O1'	O5'	124.9°	119.9°
C2'	C1'	O1'	H1'	115.7°	120.0°
C2'	C1'	O5'	H1'	121.5°	120.0°
C1'	C2'	C3'	H2'1	119.7°	119.8°
C1'	C2'	C3'	H2'2	119.7°	119.9°
C1'	C2'	C3'	O3'	169.3°	176.9°
C1'	C2'	C3'	C4'	62.0°	57.1°
C2'	C1'	O5'	C5'	38.7°	61.1°
C1'	C2'	H2'1	H2'2	120.9°	120.1°
C1'	C2'	C3'	H3'	53.3°	63.0°
C2'	C1'	O1'	HO1'	180.0°	180.0°
O1'	C1'	O5'	H1'	119.5°	120.1°
O1'	C1'	C2'	C3'	162.2°	177.6°
O1'	C1'	O5'	C5'	157.7°	178.9°
O1'	C1'	C2'	H2'1	78.1°	62.5°
O1'	C1'	C2'	H2'2	42.5°	57.6°
O5'	C1'	C2'	C3'	40.2°	57.6°
C1'	O5'	C5'	C4'	50.9°	61.1°
C1'	O5'	C5'	C6'	160.8°	178.8°
O5'	C1'	C2'	H2'1	159.9°	177.5°
O5'	C1'	C2'	H2'2	79.5°	62.3°
C1'	O5'	C5'	H5'	74.8°	58.8°
O5'	C1'	O1'	HO1'	55.0°	60.1°
C2'	C3'	O3'	C4'	125.5°	119.5°
C2'	C3'	O3'	H3'	115.5°	120.2°
C2'	C3'	C4'	H3'	115.7°	120.0°
C2'	C3'	C4'	C5'	74.5°	57.0°
C3'	C2'	C1'	H1'	81.6°	62.3°
C3'	C2'	H2'1	H2'2	120.9°	120.3°
C2'	C3'	C4'	H4'	43.7°	62.9°
C2'	C3'	O3'	HO3'	180.0°	60.0°
O3'	C3'	C4'	H3'	119.9°	120.2°
O3'	C3'	C4'	C5'	161.1°	176.8°
O3'	C3'	C2'	H2'1	49.6°	63.3°
O3'	C3'	C2'	H2'2	71.0°	57.0°
O3'	C3'	C4'	H4'	80.7°	56.9°
C3'	C4'	C5'	H4'	118.1°	120.0°
C3'	C4'	C5'	C6'	171.4°	177.6°
C3'	C4'	C5'	O5'	62.5°	57.6°
C4'	C3'	C2'	H2'1	178.3°	176.9°
C4'	C3'	C2'	H2'2	57.7°	62.8°
C3'	C4'	C5'	H5'	64.1°	62.3°
C4'	C3'	O3'	HO3'	54.5°	179.5°
C4'	C5'	C6'	O5'	110.7°	120.0°
C4'	C5'	C6'	H5'	124.3°	120.0°
C4'	C5'	O5'	H5'	125.7°	119.9°
C4'	C5'	C6'	O6'	66.4°	175.9°
C5'	C4'	C3'	H3'	41.2°	62.9°
C4'	C5'	C6'	H6'1	173.5°	55.9°
C4'	C5'	C6'	H6'2	53.7°	64.1°
C6'	C5'	O5'	H5'	124.4°	120.0°
C5'	C6'	O6'	H6'1	120.1°	120.0°
C5'	C6'	O6'	H6'2	120.1°	120.0°
C6'	C5'	C4'	H4'	53.3°	57.6°
C5'	C6'	H6'1	H6'2	119.7°	119.9°
C5'	C6'	O6'	HO6'	180.0°	180.0°
O5'	C5'	C6'	O6'	44.2°	64.1°
C5'	O5'	C1'	H1'	82.8°	58.8°
O5'	C5'	C4'	H4'	55.6°	62.4°
O5'	C5'	C6'	H6'1	75.9°	175.9°
O5'	C5'	C6'	H6'2	164.3°	55.9°
O6'	C6'	C5'	H5'	169.3°	55.9°
O6'	C6'	H6'1	H6'2	119.8°	120.0°
H1	C1	C2	H2	60.2°	57.7°
H2	C2	C3	H3	175.6°	177.1°
H2	C2	O2	HO2	58.7°	60.1°
H3	C3	C4	H4	173.3°	177.0°
H3	C3	O3	HO3	62.3°	60.2°
H4	C4	C5	H5	173.8°	177.7°
H4	C4	O4	HO4	60.8°	60.1°
H5	C5	C6	H61	63.3°	65.1°
H5	C5	C6	H62	54.6°	175.0°
H61	C6	O6	HO6	59.0°	60.1°
H62	C6	O6	HO6	58.9°	59.9°
H1'	C1'	C2'	H2'1	38.1°	57.5°
H1'	C1'	C2'	H2'2	158.8°	177.7°
H1'	C1'	O1'	HO1'	64.3°	60.0°
H2'1	C2'	C3'	H3'	66.4°	56.9°
H2'2	C2'	C3'	H3'	173.0°	177.1°
H3'	C3'	C4'	H4'	159.5°	177.1°
H3'	C3'	O3'	HO3'	64.5°	60.2°
H4'	C4'	C5'	H5'	177.8°	177.7°
H5'	C5'	C6'	H6'1	49.2°	64.2°
H5'	C5'	C6'	H6'2	70.6°	175.9°
H6'1	C6'	O6'	HO6'	60.0°	60.0°
H6'2	C6'	O6'	HO6'	59.9°	60.0°

Release date:	2020-07-29
Last modified:	2020-07-29
Processing site:	RCSB