PRD_900074

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.50Å
C1	O1	sing	1.43Å	1.44Å
C1	O5	sing	1.43Å	1.49Å
C1	H1	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.52Å
C2	O2	sing	1.43Å	1.42Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.56Å
C3	O3	sing	1.43Å	1.40Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.42Å
C4	HC41	sing	1.09Å	1.12Å
C4	HC42	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.32Å
C5	O5	sing	1.43Å	1.53Å
C5	H5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.46Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
O1	C4'	sing	1.43Å	1.46Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
C1'	C2'	sing	1.53Å	1.56Å
C1'	O1'	sing	1.43Å	1.41Å
C1'	O5'	sing	1.43Å	1.47Å
C1'	H1'	sing	1.09Å	1.12Å
C2'	C3'	sing	1.53Å	1.54Å
C2'	O2'	sing	1.43Å	1.42Å
C2'	H2'	sing	1.09Å	1.11Å
C3'	C4'	sing	1.53Å	1.53Å
C3'	O3'	sing	1.43Å	1.45Å
C3'	H3'	sing	1.09Å	1.12Å
C4'	C5'	sing	1.53Å	1.56Å
C4'	H4'	sing	1.09Å	1.12Å
C5'	C6'	sing	1.53Å	1.54Å
C5'	O5'	sing	1.43Å	1.46Å
C5'	H5'	sing	1.09Å	1.12Å
C6'	O6'	sing	1.43Å	1.42Å
C6'	H6'1	sing	1.09Å	1.11Å
C6'	H6'2	sing	1.09Å	1.11Å
O1'	HO1'	sing	0.97Å	0.95Å
O2'	HO2'	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	O1	132.1°	109.4°
C2	C1	O5	109.1°	109.7°
C2	C1	H1	90.1°	109.5°
C1	C2	C3	107.1°	109.1°
C1	C2	O2	108.5°	109.6°
C1	C2	H2	112.0°	109.6°
O1	C1	O5	102.0°	109.3°
O1	C1	H1	99.1°	109.4°
C1	O1	C4'	130.8°	106.8°
O5	C1	H1	127.4°	109.5°
C1	O5	C5	118.3°	107.6°
C3	C2	O2	110.6°	109.5°
C3	C2	H2	110.0°	109.5°
C2	C3	C4	108.1°	108.6°
C2	C3	O3	106.9°	109.8°
C2	C3	H3	112.1°	109.6°
O2	C2	H2	108.6°	109.5°
C2	O2	HO2	108.6°	106.8°
C4	C3	O3	109.8°	109.6°
C4	C3	H3	109.4°	109.6°
C3	C4	C5	115.0°	109.0°
C3	C4	HC41	110.2°	109.5°
C3	C4	HC42	110.2°	109.5°
O3	C3	H3	110.4°	109.6°
C3	O3	HO3	107.0°	106.8°
C5	C4	HC41	110.2°	109.5°
C5	C4	HC42	110.2°	109.6°
C4	C5	C6	118.7°	109.4°
C4	C5	O5	106.4°	109.8°
C4	C5	H5	106.1°	109.4°
HC41	C4	HC42	100.1°	109.6°
C6	C5	O5	111.6°	109.4°
C6	C5	H5	100.2°	109.4°
C5	C6	O6	119.4°	109.5°
C5	C6	H61	108.6°	109.5°
C5	C6	H62	108.6°	109.5°
O5	C5	H5	114.0°	109.4°
O6	C6	H61	108.7°	109.5°
O6	C6	H62	108.7°	109.4°
C6	O6	HO6	119.4°	106.8°
H61	C6	H62	101.4°	109.4°
O1	C4'	C3'	110.7°	109.5°
O1	C4'	C5'	100.1°	109.5°
O1	C4'	H4'	116.1°	109.5°
C2'	C1'	O1'	108.6°	109.5°
C2'	C1'	O5'	109.5°	109.8°
C2'	C1'	H1'	110.4°	109.5°
C1'	C2'	C3'	108.5°	109.0°
C1'	C2'	O2'	109.6°	109.6°
C1'	C2'	H2'	110.1°	109.6°
O1'	C1'	O5'	110.3°	109.3°
O1'	C1'	H1'	109.5°	109.4°
C1'	O1'	HO1'	108.6°	106.9°
O5'	C1'	H1'	108.6°	109.4°
C1'	O5'	C5'	116.0°	107.7°
C3'	C2'	O2'	109.6°	109.6°
C3'	C2'	H2'	110.0°	109.5°
C2'	C3'	C4'	106.3°	108.7°
C2'	C3'	O3'	108.3°	109.7°
C2'	C3'	H3'	113.0°	109.5°
O2'	C2'	H2'	109.0°	109.5°
C2'	O2'	HO2'	109.6°	106.8°
C4'	C3'	O3'	111.6°	109.6°
C4'	C3'	H3'	109.7°	109.7°
C3'	C4'	C5'	113.5°	109.1°
C3'	C4'	H4'	103.5°	109.6°
O3'	C3'	H3'	107.9°	109.6°
C3'	O3'	HO3'	108.2°	106.8°
C5'	C4'	H4'	113.4°	109.6°
C4'	C5'	C6'	114.5°	109.5°
C4'	C5'	O5'	106.4°	109.7°
C4'	C5'	H5'	108.3°	109.4°
C6'	C5'	O5'	110.0°	109.4°
C6'	C5'	H5'	104.7°	109.4°
C5'	C6'	O6'	110.0°	109.5°
C5'	C6'	H6'1	112.0°	109.5°
C5'	C6'	H6'2	112.0°	109.5°
O5'	C5'	H5'	113.0°	109.4°
O6'	C6'	H6'1	111.9°	109.4°
O6'	C6'	H6'2	112.0°	109.5°
C6'	O6'	HO6'	110.0°	106.8°
H6'1	C6'	H6'2	98.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O5	130.0°	120.2°
C2	C1	O1	H1	98.6°	119.9°
C2	C1	O5	H1	105.5°	120.1°
C1	C2	C3	O2	118.1°	120.0°
C1	C2	C3	H2	122.0°	119.9°
C1	C2	O2	H2	122.0°	120.3°
C1	C2	C3	C4	61.8°	53.7°
C1	C2	C3	O3	180.0°	173.6°
C1	C2	C3	H3	58.8°	66.0°
C2	C1	O5	C5	55.5°	67.7°
C2	C1	O1	C4'	178.5°	168.9°
C1	C2	O2	HO2	180.0°	179.6°
O1	C1	O5	H1	111.5°	119.8°
O1	C1	C2	C3	173.4°	178.7°
O1	C1	C2	O2	54.0°	58.8°
O1	C1	C2	H2	65.9°	61.4°
O1	C1	O5	C5	161.5°	172.3°
C1	O1	C4'	C3'	108.7°	123.5°
C1	O1	C4'	C5'	131.3°	116.9°
C1	O1	C4'	H4'	8.8°	3.3°
O5	C1	C2	C3	59.1°	61.3°
O5	C1	C2	O2	178.5°	178.8°
O5	C1	C2	H2	61.6°	58.6°
C1	O5	C5	C4	50.0°	67.7°
C1	O5	C5	C6	179.1°	172.2°
C1	O5	C5	H5	66.5°	52.4°
O5	C1	O1	C4'	51.5°	70.9°
H1	C1	C2	C3	70.9°	58.9°
H1	C1	C2	O2	48.5°	61.0°
H1	C1	C2	H2	168.4°	178.7°
H1	C1	O5	C5	50.1°	52.5°
H1	C1	O1	C4'	80.0°	48.9°
C3	C2	O2	H2	120.8°	120.1°
C2	C3	C4	O3	116.3°	120.0°
C2	C3	C4	H3	122.4°	119.7°
C2	C3	O3	H3	122.3°	120.5°
C2	C3	C4	C5	62.1°	53.6°
C2	C3	C4	HC41	172.6°	66.2°
C2	C3	C4	HC42	63.2°	173.6°
C3	C2	O2	HO2	62.8°	60.0°
C2	C3	O3	HO3	180.0°	179.2°
O2	C2	C3	C4	179.9°	173.7°
O2	C2	C3	O3	61.9°	66.4°
O2	C2	C3	H3	59.3°	54.0°
H2	C2	C3	C4	60.1°	66.2°
H2	C2	C3	O3	58.0°	53.7°
H2	C2	C3	H3	179.2°	174.1°
H2	C2	O2	HO2	58.0°	60.1°
C4	C3	O3	H3	120.7°	120.3°
C3	C4	C5	HC41	125.2°	119.8°
C3	C4	C5	HC42	125.2°	119.9°
C3	C4	HC41	HC42	116.0°	120.2°
C3	C4	C5	C6	178.4°	178.6°
C3	C4	C5	O5	51.6°	61.2°
C3	C4	C5	H5	70.1°	58.9°
C4	C3	O3	HO3	63.0°	59.9°
O3	C3	C4	C5	178.4°	173.6°
O3	C3	C4	HC41	56.3°	53.8°
O3	C3	C4	HC42	53.1°	66.4°
H3	C3	C4	C5	60.3°	66.1°
H3	C3	C4	HC41	65.0°	174.1°
H3	C3	C4	HC42	174.5°	53.8°
H3	C3	O3	HO3	57.7°	60.4°
C5	C4	HC41	HC42	116.1°	120.3°
C4	C5	C6	O5	124.2°	120.3°
C4	C5	C6	H5	114.7°	119.8°
C4	C5	O5	H5	116.5°	120.1°
C4	C5	C6	O6	55.7°	179.8°
C4	C5	C6	H61	69.5°	60.1°
C4	C5	C6	H62	179.1°	59.8°
HC41	C4	C5	C6	56.3°	61.5°
HC41	C4	C5	O5	176.9°	58.6°
HC41	C4	C5	H5	55.2°	178.7°
HC42	C4	C5	C6	53.2°	58.8°
HC42	C4	C5	O5	73.6°	178.9°
HC42	C4	C5	H5	164.7°	61.0°
C6	C5	O5	H5	112.6°	119.8°
C5	C6	O6	H61	125.2°	120.1°
C5	C6	O6	H62	125.2°	120.0°
C5	C6	H61	H62	114.3°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	179.9°	59.8°
O5	C5	C6	H61	54.7°	60.2°
O5	C5	C6	H62	54.8°	179.8°
H5	C5	C6	O6	59.0°	60.0°
H5	C5	C6	H61	175.7°	179.9°
H5	C5	C6	H62	66.2°	60.0°
O6	C6	H61	H62	114.4°	119.9°
H61	C6	O6	HO6	54.8°	59.9°
H62	C6	O6	HO6	54.7°	60.0°
O1	C4'	C3'	C2'	172.1°	173.6°
O1	C4'	C3'	C5'	111.6°	119.9°
O1	C4'	C3'	H4'	125.0°	120.2°
O1	C4'	C3'	O3'	70.0°	66.5°
O1	C4'	C3'	H3'	49.6°	53.8°
O1	C4'	C5'	H4'	124.4°	120.2°
O1	C4'	C5'	C6'	63.6°	58.9°
O1	C4'	C5'	O5'	174.6°	179.0°
O1	C4'	C5'	H5'	52.8°	61.0°
C2'	C1'	O1'	O5'	120.0°	120.3°
C2'	C1'	O1'	H1'	120.6°	120.0°
C2'	C1'	O5'	H1'	120.6°	120.2°
C1'	C2'	C3'	O2'	119.7°	119.9°
C1'	C2'	C3'	H2'	120.5°	119.9°
C1'	C2'	O2'	H2'	120.5°	120.2°
C1'	C2'	C3'	C4'	59.5°	53.7°
C1'	C2'	C3'	O3'	179.6°	173.6°
C1'	C2'	C3'	H3'	60.9°	66.1°
C2'	C1'	O5'	C5'	59.6°	67.6°
C2'	C1'	O1'	HO1'	180.0°	179.9°
C1'	C2'	O2'	HO2'	180.0°	60.4°
O1'	C1'	O5'	H1'	120.0°	119.8°
O1'	C1'	C2'	C3'	179.6°	178.8°
O1'	C1'	C2'	O2'	60.7°	58.8°
O1'	C1'	C2'	H2'	59.2°	61.4°
O1'	C1'	O5'	C5'	179.1°	172.3°
O5'	C1'	C2'	C3'	59.2°	61.2°
O5'	C1'	C2'	O2'	178.9°	178.8°
O5'	C1'	C2'	H2'	61.3°	58.6°
C1'	O5'	C5'	C4'	56.0°	67.5°
C1'	O5'	C5'	C6'	179.4°	172.4°
C1'	O5'	C5'	H5'	62.8°	52.5°
O5'	C1'	O1'	HO1'	60.0°	59.7°
H1'	C1'	C2'	C3'	60.3°	58.8°
H1'	C1'	C2'	O2'	59.4°	61.1°
H1'	C1'	C2'	H2'	179.2°	178.7°
H1'	C1'	O5'	C5'	60.9°	52.6°
H1'	C1'	O1'	HO1'	59.4°	60.1°
C3'	C2'	O2'	H2'	120.5°	120.2°
C2'	C3'	C4'	O3'	117.9°	119.9°
C2'	C3'	C4'	H3'	122.5°	119.7°
C2'	C3'	O3'	H3'	122.7°	120.3°
C2'	C3'	C4'	C5'	60.5°	53.7°
C2'	C3'	C4'	H4'	62.8°	66.3°
C3'	C2'	O2'	HO2'	61.0°	180.0°
C2'	C3'	O3'	HO3'	180.0°	60.7°
O2'	C2'	C3'	C4'	179.2°	173.7°
O2'	C2'	C3'	O3'	60.8°	66.4°
O2'	C2'	C3'	H3'	58.7°	53.9°
H2'	C2'	C3'	C4'	61.0°	66.1°
H2'	C2'	C3'	O3'	59.1°	53.7°
H2'	C2'	C3'	H3'	178.6°	174.1°
H2'	C2'	O2'	HO2'	59.5°	59.8°
C4'	C3'	O3'	H3'	120.6°	120.4°
C3'	C4'	C5'	H4'	117.7°	120.0°
C3'	C4'	C5'	C6'	178.5°	178.8°
C3'	C4'	C5'	O5'	56.7°	61.1°
C3'	C4'	C5'	H5'	65.1°	58.9°
C4'	C3'	O3'	HO3'	63.3°	180.0°
O3'	C3'	C4'	C5'	178.4°	173.6°
O3'	C3'	C4'	H4'	55.1°	53.7°
H3'	C3'	C4'	C5'	62.0°	66.0°
H3'	C3'	C4'	H4'	174.6°	174.0°
H3'	C3'	O3'	HO3'	57.4°	59.6°
C4'	C5'	C6'	O5'	119.8°	120.3°
C4'	C5'	C6'	H5'	118.5°	119.8°
C4'	C5'	O5'	H5'	118.8°	120.0°
C4'	C5'	C6'	O6'	162.5°	179.7°
C4'	C5'	C6'	H6'1	37.3°	59.7°
C4'	C5'	C6'	H6'2	72.3°	60.3°
H4'	C4'	C5'	C6'	60.8°	61.3°
H4'	C4'	C5'	O5'	61.0°	58.8°
H4'	C4'	C5'	H5'	177.2°	178.9°
C6'	C5'	O5'	H5'	116.6°	119.9°
C5'	C6'	O6'	H6'1	125.3°	120.0°
C5'	C6'	O6'	H6'2	125.3°	120.1°
C5'	C6'	H6'1	H6'2	118.0°	120.1°
C5'	C6'	O6'	HO6'	180.0°	180.0°
O5'	C5'	C6'	O6'	77.7°	60.0°
O5'	C5'	C6'	H6'1	157.1°	180.0°
O5'	C5'	C6'	H6'2	47.6°	60.0°
H5'	C5'	C6'	O6'	44.0°	59.8°
H5'	C5'	C6'	H6'1	81.2°	60.2°
H5'	C5'	C6'	H6'2	169.3°	179.8°
O6'	C6'	H6'1	H6'2	117.9°	120.0°
H6'1	C6'	O6'	HO6'	54.7°	60.0°
H6'2	C6'	O6'	HO6'	54.8°	59.9°

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