PRD_900057

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.57Å
C1	O1	sing	1.43Å	1.40Å
C1	O5	sing	1.43Å	1.52Å
C2	C3	sing	1.53Å	1.56Å
C2	O2	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.53Å
C3	O3	sing	1.43Å	1.44Å
C4	O4	sing	1.43Å	1.36Å
C4	C5	sing	1.53Å	1.57Å
C5	O5	sing	1.43Å	1.46Å
C5	C6	sing	1.53Å	1.53Å
C6	O6	sing	1.43Å	1.45Å
O1	C2'	sing	1.43Å	1.48Å
C1'	O1'	sing	1.43Å	1.42Å
C1'	C2'	sing	1.53Å	1.53Å
C2'	C3'	sing	1.54Å	1.53Å
C2'	O2'	sing	1.44Å	1.35Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	C4'	sing	1.55Å	1.47Å
C4'	O4'	sing	1.43Å	1.42Å
C4'	C5'	sing	1.55Å	1.46Å
C5'	O2'	sing	1.45Å	1.41Å
C5'	C6'	sing	1.53Å	1.51Å
C6'	O6'	sing	1.43Å	1.42Å
O6'	P	sing	1.61Å	1.77Å
P	O10	doub	1.48Å	1.49Å
P	O11	sing	1.61Å	1.48Å
P	O12	sing	1.61Å	1.48Å
C1	H1	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C4	H7	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'	H1'1	sing	1.09Å	1.10Å
C1'	H1'2	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'	H1'	sing	0.97Å	0.95Å
O3'	H3	sing	0.97Å	0.95Å
O4'	H2	sing	0.97Å	0.95Å
O11	H11	sing	0.97Å	0.95Å
O12	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	103.0°	109.4°
C2	C1	O5	107.6°	109.4°
C1	C2	C3	110.2°	109.2°
C1	C2	O2	108.2°	109.5°
C2	C1	H1	107.5°	109.5°
C1	C2	H4	108.7°	109.5°
O1	C1	O5	120.5°	109.5°
C1	O1	C2'	115.7°	114.0°
O1	C1	H1	109.5°	109.5°
C1	O5	C5	114.0°	114.1°
O5	C1	H1	108.0°	109.5°
C3	C2	O2	110.4°	109.5°
C2	C3	C4	107.4°	109.1°
C2	C3	O3	110.5°	109.5°
C3	C2	H4	108.8°	109.5°
C2	C3	H6	109.2°	109.6°
O2	C2	H4	110.4°	109.6°
C2	O2	HO2	109.5°	114.0°
C4	C3	O3	109.2°	109.5°
C3	C4	O4	109.7°	109.6°
C3	C4	C5	110.2°	109.2°
C4	C3	H6	109.5°	109.6°
C3	C4	H7	108.3°	109.5°
O3	C3	H6	110.8°	109.6°
C3	O3	HO3	109.5°	114.0°
O4	C4	C5	109.7°	109.5°
O4	C4	H7	110.9°	109.6°
C4	O4	HO4	109.5°	114.0°
C4	C5	O5	109.8°	109.4°
C4	C5	C6	113.0°	109.5°
C5	C4	H7	108.0°	109.5°
C4	C5	H5	108.1°	109.4°
O5	C5	C6	108.1°	109.5°
O5	C5	H5	109.3°	109.5°
C5	C6	O6	110.0°	109.4°
C6	C5	H5	108.4°	109.5°
C5	C6	H61	109.3°	109.5°
C5	C6	H62	109.3°	109.5°
O6	C6	H61	109.4°	109.4°
O6	C6	H62	109.4°	109.5°
C6	O6	HO6	109.5°	114.0°
O1	C2'	C1'	115.2°	109.9°
O1	C2'	C3'	105.8°	109.9°
O1	C2'	O2'	115.3°	109.9°
O1'	C1'	C2'	111.8°	109.5°
O1'	C1'	H1'1	108.9°	109.5°
O1'	C1'	H1'2	108.9°	109.5°
C1'	O1'	H1'	109.5°	114.0°
C1'	C2'	C3'	113.6°	109.9°
C1'	C2'	O2'	105.2°	109.9°
C2'	C1'	H1'1	108.9°	109.5°
C2'	C1'	H1'2	108.9°	109.5°
C3'	C2'	O2'	101.0°	107.4°
C2'	C3'	O3'	113.0°	110.5°
C2'	C3'	C4'	107.4°	104.2°
C2'	C3'	H3'	109.0°	110.5°
C2'	O2'	C5'	111.4°	106.9°
O3'	C3'	C4'	107.3°	110.5°
O3'	C3'	H3'	110.3°	110.4°
C3'	O3'	H3	109.5°	114.0°
C3'	C4'	O4'	116.1°	110.9°
C3'	C4'	C5'	95.2°	102.1°
C4'	C3'	H3'	109.8°	110.6°
C3'	C4'	H4'	111.9°	110.9°
O4'	C4'	C5'	107.7°	110.9°
O4'	C4'	H4'	112.6°	110.9°
C4'	O4'	H2	109.5°	113.9°
C4'	C5'	O2'	107.2°	103.6°
C4'	C5'	C6'	113.6°	110.6°
C5'	C4'	H4'	112.0°	110.9°
C4'	C5'	H5'	108.9°	110.7°
O2'	C5'	C6'	109.2°	110.6°
O2'	C5'	H5'	109.6°	110.5°
C5'	C6'	O6'	109.8°	109.5°
C6'	C5'	H5'	108.3°	110.7°
C5'	C6'	H6'1	109.4°	109.5°
C5'	C6'	H6'2	109.4°	109.5°
C6'	O6'	P	110.7°	123.0°
O6'	C6'	H6'1	109.4°	109.5°
O6'	C6'	H6'2	109.4°	109.5°
O6'	P	O10	102.1°	109.5°
O6'	P	O11	104.8°	109.5°
O6'	P	O12	120.0°	109.4°
O10	P	O11	110.8°	109.5°
O10	P	O12	109.4°	109.5°
O11	P	O12	109.4°	109.5°
P	O11	H11	109.5°	114.0°
P	O12	H12	109.5°	114.0°
H61	C6	H62	109.4°	109.5°
H1'1	C1'	H1'2	109.5°	109.5°
H6'1	C6'	H6'2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O5	119.8°	119.9°
C2	C1	O1	H1	114.1°	120.0°
C2	C1	O5	H1	115.7°	120.0°
C1	C2	C3	O2	119.5°	119.9°
C1	C2	C3	H4	119.2°	119.9°
C1	C2	O2	H4	118.9°	120.2°
C1	C2	C3	C4	60.9°	57.0°
C1	C2	C3	O3	180.0°	176.8°
C2	C1	O5	C5	58.3°	61.2°
C2	C1	O1	C2'	146.1°	167.3°
C1	C2	C3	H6	57.8°	62.9°
C1	C2	O2	HO2	180.0°	60.0°
O1	C1	O5	H1	126.9°	120.0°
O1	C1	C2	C3	69.7°	62.4°
O1	C1	C2	O2	51.1°	57.5°
O1	C1	O5	C5	59.2°	58.8°
C1	O1	C2'	C1'	106.4°	67.2°
C1	O1	C2'	C3'	127.3°	171.8°
C1	O1	C2'	O2'	16.6°	53.8°
O1	C1	C2	H4	171.1°	177.7°
O5	C1	C2	C3	58.6°	57.6°
O5	C1	C2	O2	179.4°	177.5°
C1	O5	C5	C4	58.1°	61.1°
C1	O5	C5	C6	178.1°	178.8°
O5	C1	O1	C2'	94.2°	72.7°
O5	C1	C2	H4	60.6°	62.3°
C1	O5	C5	H5	60.3°	58.8°
C3	C2	O2	H4	120.4°	120.2°
C2	C3	C4	O3	119.9°	119.8°
C2	C3	C4	H6	118.5°	119.9°
C2	C3	O3	H6	121.2°	120.2°
C2	C3	C4	O4	179.6°	176.9°
C2	C3	C4	C5	59.5°	57.0°
C3	C2	C1	H1	174.7°	177.6°
C2	C3	C4	H7	58.5°	62.9°
C3	C2	O2	HO2	59.3°	179.7°
C2	C3	O3	HO3	180.0°	60.1°
O2	C2	C3	C4	179.6°	176.9°
O2	C2	C3	O3	60.5°	63.3°
O2	C2	C1	H1	64.5°	62.5°
O2	C2	C3	H6	61.7°	57.0°
C4	C3	O3	H6	120.8°	120.2°
C3	C4	O4	C5	121.2°	119.7°
C3	C4	O4	H7	119.6°	120.2°
C3	C4	C5	H7	118.2°	119.9°
C3	C4	C5	O5	58.3°	57.6°
C3	C4	C5	C6	179.2°	177.6°
C4	C3	C2	H4	58.3°	62.9°
C3	C4	C5	H5	60.9°	62.4°
C4	C3	O3	HO3	62.0°	179.6°
C3	C4	O4	HO4	180.0°	60.0°
O3	C3	C4	O4	59.7°	63.3°
O3	C3	C4	C5	179.4°	176.8°
O3	C3	C2	H4	60.8°	56.9°
O3	C3	C4	H7	61.4°	56.9°
O4	C4	C5	H7	120.9°	120.2°
O4	C4	C5	O5	179.2°	177.5°
O4	C4	C5	C6	60.0°	62.4°
O4	C4	C3	H6	61.9°	57.0°
O4	C4	C5	H5	60.0°	57.6°
C4	C5	O5	C6	123.7°	120.0°
C4	C5	O5	H5	118.4°	119.9°
C4	C5	C6	H5	119.8°	120.0°
C4	C5	C6	O6	67.4°	174.9°
C5	C4	C3	H6	59.0°	62.9°
C4	C5	C6	H61	172.5°	55.0°
C4	C5	C6	H62	52.7°	65.1°
C5	C4	O4	HO4	58.8°	179.7°
O5	C5	C6	H5	118.4°	120.0°
O5	C5	C6	O6	54.4°	65.1°
C5	O5	C1	H1	174.0°	178.8°
O5	C5	C4	H7	59.9°	62.3°
O5	C5	C6	H61	65.7°	174.9°
O5	C5	C6	H62	174.5°	54.9°
C5	C6	O6	H61	120.1°	120.0°
C5	C6	O6	H62	120.1°	120.0°
C6	C5	C4	H7	61.0°	57.7°
C5	C6	H61	H62	119.7°	120.0°
C5	C6	O6	HO6	180.0°	179.9°
O6	C6	C5	H5	172.8°	54.9°
O6	C6	H61	H62	119.8°	120.0°
O1	C2'	C1'	O1'	0.3°	67.0°
O1	C2'	C1'	C3'	122.3°	121.0°
O1	C2'	C1'	O2'	128.2°	121.1°
O1	C2'	C3'	O2'	120.5°	119.5°
O1	C2'	C3'	O3'	25.0°	2.8°
O1	C2'	C3'	C4'	93.1°	121.5°
O1	C2'	O2'	C5'	112.2°	145.8°
C2'	O1	C1	H1	32.0°	47.3°
O1	C2'	C1'	H1'1	120.7°	53.0°
O1	C2'	C1'	H1'2	120.1°	173.1°
O1	C2'	C3'	H3'	148.0°	119.7°
O1'	C1'	C2'	H1'1	120.4°	120.0°
O1'	C1'	C2'	H1'2	120.4°	120.0°
O1'	C1'	C2'	C3'	122.6°	172.0°
O1'	C1'	C2'	O2'	127.9°	54.1°
O1'	C1'	H1'1	H1'2	118.9°	120.0°
C1'	C2'	C3'	O2'	112.1°	119.4°
C1'	C2'	C3'	O3'	102.3°	123.8°
C1'	C2'	C3'	C4'	139.5°	117.5°
C1'	C2'	O2'	C5'	119.7°	93.2°
C2'	C1'	H1'1	H1'2	118.9°	120.0°
C1'	C2'	C3'	H3'	20.6°	1.3°
C2'	C1'	O1'	H1'	180.0°	180.0°
C2'	C3'	O3'	C4'	118.2°	114.8°
C2'	C3'	O3'	H3'	122.2°	122.6°
C2'	C3'	C4'	H3'	118.4°	118.7°
C2'	C3'	C4'	O4'	152.3°	139.1°
C2'	C3'	C4'	C5'	39.7°	20.9°
C3'	C2'	O2'	C5'	1.3°	26.3°
C3'	C2'	C1'	H1'1	117.1°	68.0°
C3'	C2'	C1'	H1'2	2.2°	52.1°
C2'	C3'	C4'	H4'	76.5°	97.3°
C2'	C3'	O3'	H3	180.0°	180.0°
O2'	C2'	C3'	O3'	145.5°	116.7°
O2'	C2'	C3'	C4'	27.4°	1.9°
C2'	O2'	C5'	C4'	25.2°	39.9°
C2'	O2'	C5'	C6'	148.7°	158.5°
O2'	C2'	C1'	H1'1	7.5°	174.1°
O2'	C2'	C1'	H1'2	111.8°	65.9°
O2'	C2'	C3'	H3'	91.5°	120.7°
C2'	O2'	C5'	H5'	92.8°	78.7°
O3'	C3'	C4'	H3'	119.9°	122.6°
O3'	C3'	C4'	O4'	85.9°	102.2°
O3'	C3'	C4'	C5'	161.5°	139.6°
O3'	C3'	C4'	H4'	45.3°	21.4°
C3'	C4'	O4'	C5'	105.2°	112.6°
C3'	C4'	O4'	H4'	130.9°	123.6°
C3'	C4'	C5'	H4'	116.2°	118.2°
C3'	C4'	C5'	O2'	38.7°	36.9°
C3'	C4'	C5'	C6'	159.5°	155.5°
C3'	C4'	C5'	H5'	79.8°	81.5°
C4'	C3'	O3'	H3	61.8°	65.2°
C3'	C4'	O4'	H2	180.0°	180.0°
O4'	C4'	C5'	H4'	124.3°	123.7°
O4'	C4'	C5'	O2'	158.2°	155.1°
O4'	C4'	C5'	C6'	81.0°	86.3°
O4'	C4'	C3'	H3'	34.0°	20.3°
O4'	C4'	C5'	H5'	39.7°	36.7°
C4'	C5'	O2'	C6'	123.5°	118.6°
C4'	C5'	O2'	H5'	118.1°	118.6°
C4'	C5'	C6'	H5'	121.2°	123.0°
C4'	C5'	C6'	O6'	161.2°	175.0°
C5'	C4'	C3'	H3'	78.6°	97.9°
C4'	C5'	C6'	H6'1	78.7°	54.9°
C4'	C5'	C6'	H6'2	41.2°	65.0°
C5'	C4'	O4'	H2	74.8°	67.3°
O2'	C5'	C6'	H5'	119.2°	122.8°
O2'	C5'	C6'	O6'	41.6°	70.8°
O2'	C5'	C4'	H4'	77.5°	81.2°
O2'	C5'	C6'	H6'1	161.6°	169.2°
O2'	C5'	C6'	H6'2	78.4°	49.3°
C5'	C6'	O6'	H6'1	120.1°	120.1°
C5'	C6'	O6'	H6'2	120.0°	120.0°
C5'	C6'	O6'	P	179.3°	180.0°
C6'	C5'	C4'	H4'	43.3°	37.3°
C5'	C6'	H6'1	H6'2	119.9°	119.9°
C6'	O6'	P	O10	80.7°	55.0°
C6'	O6'	P	O11	163.7°	175.0°
C6'	O6'	P	O12	40.3°	65.0°
O6'	C6'	C5'	H5'	77.6°	52.0°
O6'	C6'	H6'1	H6'2	119.9°	120.0°
O6'	P	O10	O11	111.2°	120.0°
O6'	P	O10	O12	128.1°	120.0°
O6'	P	O11	O12	129.9°	119.9°
P	O6'	C6'	H6'1	59.3°	60.0°
P	O6'	C6'	H6'2	60.6°	60.0°
O6'	P	O11	H11	109.4°	180.0°
O6'	P	O12	H12	117.3°	60.0°
O10	P	O11	O12	120.7°	120.0°
O10	P	O11	H11	0.0°	60.0°
O10	P	O12	H12	0.0°	180.0°
O11	P	O12	H12	121.6°	60.0°
O12	P	O11	H11	120.7°	60.1°
H1	C1	C2	H4	55.5°	57.7°
H4	C2	C3	H6	177.0°	177.2°
H4	C2	O2	HO2	61.1°	60.1°
H6	C3	C4	H7	177.0°	177.2°
H6	C3	O3	HO3	58.8°	60.2°
H7	C4	C5	H5	179.0°	177.8°
H7	C4	O4	HO4	60.4°	60.2°
H5	C5	C6	H61	52.7°	65.0°
H5	C5	C6	H62	67.1°	175.0°
H61	C6	O6	HO6	59.9°	60.1°
H62	C6	O6	HO6	59.9°	59.9°
H1'1	C1'	O1'	H1'	59.7°	60.0°
H1'2	C1'	O1'	H1'	59.7°	60.0°
H3'	C3'	C4'	H4'	165.2°	143.9°
H3'	C3'	O3'	H3	57.8°	57.4°
H4'	C4'	C5'	H5'	164.1°	160.3°
H4'	C4'	O4'	H2	49.1°	56.4°
H5'	C5'	C6'	H6'1	42.4°	68.1°
H5'	C5'	C6'	H6'2	162.3°	172.0°

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