PRD_900118

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C6	sing	1.43Å	1.40Å
O2	C2	sing	1.43Å	1.43Å
C6	C5	sing	1.53Å	1.48Å
O5	C1	sing	1.43Å	1.47Å
O5	C5	sing	1.43Å	1.45Å
C4	C5	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.44Å
C4	C3	sing	1.53Å	1.45Å
C1	C2	sing	1.53Å	1.53Å
C1	O6'	sing	1.43Å	1.36Å
C2	C3	sing	1.53Å	1.48Å
O3	C3	sing	1.43Å	1.48Å
O6'	C6'	sing	1.43Å	1.44Å
C6'	C5'	sing	1.53Å	1.48Å
O5'	C5'	sing	1.43Å	1.46Å
O5'	C1'	sing	1.43Å	1.48Å
O1'	C1'	sing	1.43Å	1.39Å
C5'	C4'	sing	1.53Å	1.49Å
C1'	C2'	sing	1.53Å	1.52Å
C4'	O4'	sing	1.43Å	1.46Å
C4'	C3'	sing	1.53Å	1.47Å
C2'	O2'	sing	1.43Å	1.43Å
C2'	C3'	sing	1.53Å	1.45Å
C3'	O3'	sing	1.43Å	1.45Å
C6'	H1	sing	1.09Å	1.10Å
C6'	H2	sing	1.09Å	1.10Å
C5'	H3	sing	1.09Å	1.10Å
C4'	H4	sing	1.09Å	1.10Å
O4'	H5	sing	0.97Å	0.95Å
C3'	H6	sing	1.09Å	1.10Å
O3'	H7	sing	0.97Å	0.95Å
C2'	H8	sing	1.09Å	1.10Å
O2'	H9	sing	0.97Å	0.95Å
C1'	H10	sing	1.09Å	1.10Å
O1'	H11	sing	0.97Å	0.95Å
C1	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
O2	H14	sing	0.97Å	0.95Å
C3	H15	sing	1.09Å	1.10Å
O3	H16	sing	0.97Å	0.95Å
C4	H17	sing	1.09Å	1.10Å
O4	H18	sing	0.97Å	0.95Å
C5	H19	sing	1.09Å	1.10Å
C6	H20	sing	1.09Å	1.10Å
C6	H21	sing	1.09Å	1.10Å
O6	H22	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C6	C5	108.3°	109.5°
O6	C6	H20	109.7°	109.4°
O6	C6	H21	109.8°	109.5°
C6	O6	H22	109.5°	114.1°
O2	C2	C1	115.1°	109.5°
O2	C2	C3	110.7°	109.5°
O2	C2	H13	107.1°	109.6°
C2	O2	H14	109.5°	114.0°
C6	C5	O5	108.8°	109.5°
C6	C5	C4	109.1°	109.4°
C6	C5	H19	109.8°	109.5°
C5	C6	H20	109.8°	109.5°
C5	C6	H21	109.7°	109.5°
C1	O5	C5	112.9°	114.1°
O5	C1	C2	114.5°	109.4°
O5	C1	O6'	104.8°	109.5°
O5	C1	H12	110.5°	109.5°
O5	C5	C4	109.5°	109.4°
O5	C5	H19	110.3°	109.6°
C5	C4	O4	107.7°	109.5°
C5	C4	C3	110.4°	109.1°
C5	C4	H17	109.7°	109.5°
C4	C5	H19	109.2°	109.5°
O4	C4	C3	107.3°	109.5°
O4	C4	H17	110.9°	109.5°
C4	O4	H18	109.5°	114.0°
C4	C3	C2	112.2°	109.0°
C4	C3	O3	110.6°	109.6°
C4	C3	H15	108.5°	109.5°
C3	C4	H17	110.7°	109.6°
C2	C1	O6'	105.1°	109.5°
C1	C2	C3	111.0°	109.2°
C2	C1	H12	109.6°	109.5°
C1	C2	H13	105.9°	109.5°
C1	O6'	C6'	109.5°	114.0°
O6'	C1	H12	112.3°	109.5°
C2	C3	O3	108.9°	109.5°
C3	C2	H13	106.5°	109.5°
C2	C3	H15	108.3°	109.6°
O3	C3	H15	108.2°	109.6°
C3	O3	H16	109.5°	114.0°
O6'	C6'	C5'	101.7°	109.5°
O6'	C6'	H1	111.4°	109.5°
O6'	C6'	H2	111.4°	109.5°
C6'	C5'	O5'	103.1°	109.5°
C6'	C5'	C4'	101.5°	109.5°
C5'	C6'	H1	111.4°	109.5°
C5'	C6'	H2	111.4°	109.5°
C6'	C5'	H3	114.1°	109.5°
C5'	O5'	C1'	115.3°	114.1°
O5'	C5'	C4'	108.5°	109.4°
O5'	C5'	H3	114.4°	109.5°
O5'	C1'	O1'	111.8°	109.5°
O5'	C1'	C2'	119.2°	109.4°
O5'	C1'	H10	103.5°	109.5°
O1'	C1'	C2'	112.7°	109.5°
O1'	C1'	H10	104.4°	109.5°
C1'	O1'	H11	109.5°	114.0°
C5'	C4'	O4'	112.8°	109.5°
C5'	C4'	C3'	106.0°	109.1°
C4'	C5'	H3	114.0°	109.5°
C5'	C4'	H4	106.7°	109.6°
C1'	C2'	O2'	108.5°	109.5°
C1'	C2'	C3'	115.6°	109.1°
C1'	C2'	H8	109.3°	109.5°
C2'	C1'	H10	103.2°	109.5°
O4'	C4'	C3'	116.8°	109.6°
O4'	C4'	H4	107.0°	109.5°
C4'	O4'	H5	109.5°	114.0°
C4'	C3'	C2'	110.1°	109.0°
C4'	C3'	O3'	109.2°	109.5°
C3'	C4'	H4	107.0°	109.5°
C4'	C3'	H6	109.3°	109.6°
O2'	C2'	C3'	102.5°	109.5°
O2'	C2'	H8	110.5°	109.5°
C2'	O2'	H9	109.5°	114.0°
C2'	C3'	O3'	109.1°	109.6°
C2'	C3'	H6	109.5°	109.6°
C3'	C2'	H8	110.2°	109.6°
O3'	C3'	H6	109.6°	109.6°
C3'	O3'	H7	109.5°	114.0°
H1	C6'	H2	109.5°	109.5°
H20	C6	H21	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C6	C5	H20	119.8°	119.9°
O6	C6	C5	H21	119.8°	120.0°
O6	C6	C5	O5	60.9°	65.1°
O6	C6	C5	C4	58.5°	175.0°
O6	C6	C5	H19	178.3°	55.0°
O6	C6	H20	H21	120.5°	120.0°
O2	C2	C1	O5	80.7°	62.3°
O2	C2	C3	C4	77.5°	62.9°
O2	C2	C1	C3	126.8°	119.9°
O2	C2	C1	H13	118.0°	120.2°
O2	C2	C1	O6'	164.9°	177.7°
O2	C2	C3	H13	116.0°	120.2°
O2	C2	C3	O3	45.3°	57.0°
O2	C2	C1	H12	44.0°	57.7°
O2	C2	C3	H15	162.8°	177.3°
C6	C5	O5	C1	173.8°	178.9°
C6	C5	O5	C4	119.2°	119.9°
C6	C5	O5	H19	120.5°	120.1°
C6	C5	C4	H19	120.1°	120.0°
C6	C5	C4	O4	64.1°	62.5°
C6	C5	C4	C3	179.1°	177.6°
C6	C5	C4	H17	56.8°	57.6°
C5	C6	H20	H21	120.5°	120.1°
C5	C6	O6	H22	180.0°	180.0°
C1	O5	C5	C4	54.6°	61.2°
O5	C1	C2	O6'	114.4°	120.0°
O5	C1	C2	H12	124.8°	120.0°
O5	C1	O6'	H12	119.9°	120.0°
O5	C1	C2	C3	46.0°	57.6°
O5	C1	O6'	C6'	38.6°	70.1°
O5	C1	C2	H13	161.2°	177.5°
C1	O5	C5	H19	65.7°	58.8°
O5	C5	C4	H19	120.9°	120.1°
O5	C5	C4	O4	176.9°	177.5°
O5	C5	C4	C3	60.1°	57.7°
C5	O5	C1	C2	49.1°	61.2°
C5	O5	C1	O6'	65.5°	58.8°
C5	O5	C1	H12	173.4°	178.8°
O5	C5	C4	H17	62.3°	62.3°
O5	C5	C6	H20	179.3°	175.0°
O5	C5	C6	H21	58.9°	54.9°
C5	C4	O4	C3	118.9°	119.6°
C5	C4	O4	H17	120.1°	120.1°
C5	C4	C3	H17	121.7°	119.9°
C5	C4	C3	C2	59.4°	57.0°
C5	C4	C3	O3	178.7°	176.9°
C5	C4	C3	H15	60.1°	62.9°
C5	C4	O4	H18	180.0°	180.0°
C4	C5	C6	H20	61.3°	55.0°
C4	C5	C6	H21	178.4°	65.0°
O4	C4	C3	H17	121.2°	120.2°
O4	C4	C3	C2	176.5°	176.9°
O4	C4	C3	O3	61.6°	63.3°
O4	C4	C3	H15	57.0°	57.0°
O4	C4	C5	H19	56.0°	57.5°
C4	C3	C2	C1	51.6°	57.0°
C4	C3	C2	O3	122.8°	119.9°
C4	C3	C2	H15	119.7°	119.9°
C4	C3	O3	H15	118.7°	120.2°
C4	C3	C2	H13	166.4°	176.9°
C4	C3	O3	H16	180.0°	179.6°
C3	C4	O4	H18	61.1°	60.4°
C3	C4	C5	H19	60.8°	62.4°
C2	C1	O6'	H12	119.1°	120.0°
C1	C2	C3	H13	114.8°	119.9°
C1	C2	C3	O3	174.4°	176.9°
C2	C1	O6'	C6'	159.5°	170.0°
C1	C2	O2	H14	180.0°	60.0°
C1	C2	C3	H15	68.1°	62.9°
O6'	C1	C2	C3	68.3°	62.4°
C1	O6'	C6'	C5'	132.4°	180.0°
C1	O6'	C6'	H1	108.9°	60.0°
C1	O6'	C6'	H2	13.7°	60.0°
O6'	C1	C2	H13	46.8°	57.5°
C2	C3	O3	H15	117.5°	120.2°
C3	C2	C1	H12	170.8°	177.6°
C3	C2	O2	H14	53.1°	179.7°
C2	C3	O3	H16	56.2°	60.1°
C2	C3	C4	H17	62.3°	62.9°
O3	C3	C2	H13	70.8°	63.2°
O3	C3	C4	H17	59.6°	56.9°
O6'	C6'	C5'	H1	118.7°	120.0°
O6'	C6'	C5'	H2	118.7°	120.0°
O6'	C6'	C5'	O5'	60.3°	65.0°
O6'	C6'	C5'	C4'	52.0°	175.0°
O6'	C6'	H1	H2	123.6°	120.0°
O6'	C6'	C5'	H3	175.0°	55.0°
C6'	O6'	C1	H12	81.4°	50.0°
C6'	C5'	O5'	C4'	107.0°	120.0°
C6'	C5'	O5'	H3	124.5°	120.0°
C6'	C5'	O5'	C1'	149.5°	178.9°
C6'	C5'	C4'	H3	123.1°	120.0°
C6'	C5'	C4'	O4'	50.1°	62.4°
C6'	C5'	C4'	C3'	179.0°	177.6°
C5'	C6'	H1	H2	123.6°	120.0°
C6'	C5'	C4'	H4	67.2°	57.7°
C5'	O5'	C1'	O1'	123.8°	58.9°
O5'	C5'	C4'	H3	128.7°	120.0°
C5'	O5'	C1'	C2'	10.6°	61.2°
O5'	C5'	C4'	O4'	158.2°	177.5°
O5'	C5'	C4'	C3'	72.8°	57.6°
O5'	C5'	C6'	H1	179.0°	175.0°
O5'	C5'	C6'	H2	58.4°	55.0°
O5'	C5'	C4'	H4	40.9°	62.3°
C5'	O5'	C1'	H10	124.4°	178.9°
O5'	C1'	O1'	C2'	137.5°	120.0°
O5'	C1'	O1'	H10	111.2°	120.0°
C1'	O5'	C5'	C4'	42.5°	61.1°
O5'	C1'	C2'	H10	114.0°	120.0°
O5'	C1'	C2'	O2'	107.4°	62.3°
O5'	C1'	C2'	C3'	7.0°	57.6°
C1'	O5'	C5'	H3	86.0°	58.8°
O5'	C1'	C2'	H8	132.0°	177.6°
O5'	C1'	O1'	H11	180.0°	60.1°
O1'	C1'	C2'	H10	112.1°	120.0°
O1'	C1'	C2'	O2'	118.6°	177.7°
O1'	C1'	C2'	C3'	127.0°	62.4°
O1'	C1'	C2'	H8	2.0°	57.6°
C5'	C4'	O4'	C3'	123.1°	119.7°
C5'	C4'	O4'	H4	117.1°	120.2°
C5'	C4'	C3'	H4	113.6°	119.9°
C5'	C4'	C3'	C2'	69.4°	57.0°
C5'	C4'	C3'	O3'	170.9°	176.8°
C4'	C5'	C6'	H1	66.7°	55.0°
C4'	C5'	C6'	H2	170.7°	65.0°
C5'	C4'	O4'	H5	180.0°	179.7°
C5'	C4'	C3'	H6	51.0°	63.0°
C1'	C2'	C3'	C4'	36.1°	57.0°
C1'	C2'	O2'	C3'	122.7°	119.7°
C1'	C2'	O2'	H8	119.8°	120.2°
C1'	C2'	C3'	H8	124.5°	119.9°
C1'	C2'	C3'	O3'	155.9°	176.8°
C1'	C2'	C3'	H6	84.1°	63.0°
C1'	C2'	O2'	H9	180.0°	60.1°
C2'	C1'	O1'	H11	42.5°	180.0°
O4'	C4'	C3'	H4	119.8°	120.1°
O4'	C4'	C3'	C2'	164.0°	176.9°
O4'	C4'	C3'	O3'	44.3°	63.2°
O4'	C4'	C5'	H3	73.1°	57.5°
O4'	C4'	C3'	H6	75.6°	57.0°
C4'	C3'	C2'	O2'	81.7°	62.9°
C4'	C3'	C2'	O3'	119.8°	119.8°
C4'	C3'	C2'	H6	120.2°	120.0°
C4'	C3'	O3'	H6	119.7°	120.3°
C3'	C4'	C5'	H3	55.9°	62.4°
C3'	C4'	O4'	H5	56.9°	60.0°
C4'	C3'	O3'	H7	180.0°	179.6°
C4'	C3'	C2'	H8	160.6°	176.9°
O2'	C2'	C3'	H8	117.7°	120.2°
O2'	C2'	C3'	O3'	38.1°	56.9°
O2'	C2'	C3'	H6	158.1°	177.1°
O2'	C2'	C1'	H10	6.6°	57.7°
C2'	C3'	O3'	H6	119.9°	120.2°
C2'	C3'	C4'	H4	44.2°	63.0°
C2'	C3'	O3'	H7	59.6°	60.0°
C3'	C2'	O2'	H9	57.2°	179.7°
C3'	C2'	C1'	H10	121.0°	177.6°
O3'	C3'	C4'	H4	75.6°	56.9°
O3'	C3'	C2'	H8	79.6°	63.2°
H1	C6'	C5'	H3	56.3°	65.0°
H2	C6'	C5'	H3	66.3°	175.0°
H3	C5'	C4'	H4	169.6°	177.7°
H4	C4'	O4'	H5	62.9°	60.2°
H4	C4'	C3'	H6	164.5°	177.1°
H6	C3'	O3'	H7	60.3°	60.2°
H6	C3'	C2'	H8	40.4°	57.0°
H8	C2'	O2'	H9	60.2°	60.1°
H8	C2'	C1'	H10	114.0°	62.5°
H10	C1'	O1'	H11	68.8°	60.0°
H12	C1	C2	H13	74.0°	62.5°
H13	C2	O2	H14	62.6°	60.1°
H13	C2	C3	H15	46.7°	57.0°
H15	C3	O3	H16	61.3°	60.2°
H15	C3	C4	H17	178.2°	177.2°
H17	C4	O4	H18	59.9°	59.9°
H17	C4	C5	H19	176.9°	177.6°
H19	C5	C6	H20	58.5°	64.9°
H19	C5	C6	H21	61.9°	175.1°
H20	C6	O6	H22	60.2°	60.0°
H21	C6	O6	H22	60.2°	59.9°

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