PRD_900051

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C4	sing	1.43Å	1.39Å
C4	C3	sing	1.55Å	1.43Å
C4	C5	sing	1.55Å	1.48Å
C3	O3	sing	1.43Å	1.38Å
C3	C2	sing	1.54Å	1.50Å
C5	C6	sing	1.53Å	1.50Å
C5	O5	sing	1.44Å	1.41Å
O1	C1	sing	1.43Å	1.38Å
C6	O6	sing	1.43Å	1.38Å
O5	C2	sing	1.44Å	1.43Å
C2	C1	sing	1.53Å	1.51Å
C2	O2	sing	1.43Å	1.40Å
O2	C6'	sing	1.43Å	1.40Å
C6'	C5'	sing	1.53Å	1.51Å
C5'	O5'	sing	1.44Å	1.41Å
C5'	C4'	sing	1.55Å	1.48Å
O5'	C2'	sing	1.44Å	1.42Å
O4'	C4'	sing	1.43Å	1.39Å
C4'	C3'	sing	1.55Å	1.44Å
O1'	C1'	sing	1.43Å	1.37Å
C2'	C3'	sing	1.54Å	1.50Å
C2'	C1'	sing	1.53Å	1.50Å
C2'	O2'	sing	1.43Å	1.37Å
C3'	O3'	sing	1.43Å	1.37Å
O6	H1	sing	0.97Å	0.95Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
O1	H7	sing	0.97Å	0.95Å
C6'	H8	sing	1.09Å	1.10Å
C6'	H9	sing	1.09Å	1.10Å
C5'	H10	sing	1.09Å	1.10Å
O2'	H11	sing	0.97Å	0.95Å
C1'	H12	sing	1.09Å	1.10Å
C1'	H13	sing	1.09Å	1.10Å
O1'	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
C3	H19	sing	1.09Å	1.10Å
O3	H20	sing	0.97Å	0.95Å
C4	H21	sing	1.09Å	1.10Å
O4	H22	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C4	C3	109.2°	110.9°
O4	C4	C5	107.6°	110.9°
O4	C4	H21	113.2°	110.9°
C4	O4	H22	109.5°	114.0°
C3	C4	C5	102.2°	102.1°
C4	C3	O3	113.5°	110.5°
C4	C3	C2	101.1°	104.2°
C4	C3	H19	109.4°	110.6°
C3	C4	H21	112.4°	111.0°
C4	C5	C6	113.5°	110.6°
C4	C5	O5	106.4°	103.5°
C4	C5	H4	107.6°	110.8°
C5	C4	H21	111.6°	110.9°
O3	C3	C2	113.6°	110.5°
O3	C3	H19	110.3°	110.4°
C3	O3	H20	109.5°	114.0°
C3	C2	O5	103.8°	107.3°
C3	C2	C1	110.3°	109.8°
C3	C2	O2	113.6°	110.0°
C2	C3	H19	108.6°	110.5°
C6	C5	O5	113.1°	110.6°
C5	C6	O6	118.2°	109.5°
C5	C6	H2	107.3°	109.4°
C5	C6	H3	107.2°	109.4°
C6	C5	H4	107.4°	110.6°
C5	O5	C2	107.5°	107.0°
O5	C5	H4	108.6°	110.6°
O1	C1	C2	118.3°	109.4°
O1	C1	H5	107.2°	109.4°
O1	C1	H6	107.2°	109.5°
C1	O1	H7	109.5°	114.0°
C6	O6	H1	109.5°	114.0°
O6	C6	H2	107.2°	109.5°
O6	C6	H3	107.2°	109.5°
O5	C2	C1	113.4°	109.9°
O5	C2	O2	107.8°	109.9°
C1	C2	O2	107.9°	109.9°
C2	C1	H5	107.2°	109.5°
C2	C1	H6	107.2°	109.5°
C2	O2	C6'	118.2°	114.0°
O2	C6'	C5'	117.0°	109.5°
O2	C6'	H8	107.5°	109.5°
O2	C6'	H9	107.6°	109.5°
C6'	C5'	O5'	113.6°	110.6°
C6'	C5'	C4'	117.5°	110.6°
C5'	C6'	H8	107.6°	109.4°
C5'	C6'	H9	107.6°	109.5°
C6'	C5'	H10	106.4°	110.5°
O5'	C5'	C4'	104.6°	103.5°
C5'	O5'	C2'	106.3°	107.0°
O5'	C5'	H10	107.6°	110.6°
C5'	C4'	O4'	109.5°	110.9°
C5'	C4'	C3'	97.6°	102.1°
C4'	C5'	H10	106.7°	110.7°
C5'	C4'	H17	112.4°	110.9°
O5'	C2'	C3'	104.7°	107.3°
O5'	C2'	C1'	110.6°	109.9°
O5'	C2'	O2'	109.1°	109.9°
O4'	C4'	C3'	109.3°	110.9°
O4'	C4'	H17	113.9°	110.9°
C4'	O4'	H18	109.5°	114.0°
C4'	C3'	C2'	101.8°	104.2°
C4'	C3'	O3'	112.8°	110.4°
C4'	C3'	H15	109.4°	110.6°
C3'	C4'	H17	113.0°	110.9°
O1'	C1'	C2'	116.3°	109.5°
O1'	C1'	H12	107.8°	109.4°
O1'	C1'	H13	107.8°	109.5°
C1'	O1'	H14	109.5°	114.0°
C3'	C2'	C1'	112.7°	109.9°
C3'	C2'	O2'	109.5°	109.9°
C2'	C3'	O3'	113.5°	110.5°
C2'	C3'	H15	108.6°	110.5°
C1'	C2'	O2'	110.2°	110.1°
C2'	C1'	H12	107.7°	109.5°
C2'	C1'	H13	107.7°	109.5°
C2'	O2'	H11	109.5°	114.0°
O3'	C3'	H15	110.4°	110.4°
C3'	O3'	H16	109.5°	114.0°
H2	C6	H3	109.5°	109.5°
H5	C1	H6	109.5°	109.5°
H8	C6'	H9	109.5°	109.4°
H12	C1'	H13	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C4	C3	C5	113.8°	118.1°
O4	C4	C3	H21	126.5°	123.7°
O4	C4	C5	H21	124.8°	123.6°
O4	C4	C3	O3	82.0°	102.3°
O4	C4	C3	C2	156.0°	139.1°
O4	C4	C5	C6	89.1°	86.3°
O4	C4	C5	O5	145.8°	155.2°
O4	C4	C5	H4	29.6°	36.6°
O4	C4	C3	H19	41.6°	20.3°
C3	C4	C5	H21	120.3°	118.2°
C4	C3	O3	C2	114.7°	114.8°
C4	C3	O3	H19	123.1°	122.7°
C4	C3	C2	H19	115.0°	118.9°
C3	C4	C5	C6	156.0°	155.5°
C3	C4	C5	O5	30.9°	37.0°
C4	C3	C2	O5	39.6°	2.0°
C4	C3	C2	C1	161.4°	117.4°
C4	C3	C2	O2	77.3°	121.5°
C3	C4	C5	H4	85.3°	81.5°
C4	C3	O3	H20	180.0°	65.2°
C3	C4	O4	H22	180.0°	180.0°
C5	C4	C3	O3	164.2°	139.6°
C5	C4	C3	C2	42.2°	20.9°
C4	C5	C6	O5	121.4°	114.0°
C4	C5	C6	H4	118.8°	123.1°
C4	C5	O5	H4	115.6°	118.7°
C4	C5	C6	O6	173.9°	179.5°
C4	C5	O5	C2	5.7°	40.1°
C4	C5	C6	H2	52.7°	60.5°
C4	C5	C6	H3	64.9°	59.5°
C5	C4	C3	H19	72.2°	97.9°
C5	C4	O4	H22	69.8°	67.3°
O3	C3	C2	H19	123.1°	122.5°
O3	C3	C2	O5	161.5°	116.7°
O3	C3	C2	C1	76.7°	123.9°
O3	C3	C2	O2	44.6°	2.8°
O3	C3	C4	H21	44.4°	21.4°
C3	C2	O5	C5	20.6°	26.5°
C3	C2	C1	O1	69.4°	171.6°
C3	C2	O5	C1	119.8°	119.4°
C3	C2	O5	O2	120.8°	119.6°
C3	C2	C1	O2	124.7°	121.2°
C3	C2	O2	C6'	115.6°	172.0°
C3	C2	C1	H5	51.8°	68.5°
C3	C2	C1	H6	169.3°	51.6°
C2	C3	O3	H20	65.2°	180.0°
C2	C3	C4	H21	77.5°	97.2°
C6	C5	O5	H4	119.1°	122.8°
C5	C6	O6	H2	121.3°	120.0°
C5	C6	O6	H3	121.2°	120.0°
C6	C5	O5	C2	131.0°	158.5°
C5	C6	O6	H1	180.0°	180.0°
C5	C6	H2	H3	116.1°	120.0°
C6	C5	C4	H21	35.7°	37.3°
O5	C5	C6	O6	64.7°	66.5°
C5	O5	C2	C1	140.4°	92.9°
C5	O5	C2	O2	100.2°	146.1°
O5	C5	C6	H2	174.0°	53.5°
O5	C5	C6	H3	56.5°	173.6°
O5	C5	C4	H21	89.4°	81.2°
O1	C1	C2	O5	46.6°	53.8°
O1	C1	C2	H5	121.3°	119.9°
O1	C1	C2	H6	121.2°	120.0°
O1	C1	C2	O2	165.9°	67.2°
O1	C1	H5	H6	116.0°	120.0°
O6	C6	H2	H3	116.0°	120.0°
O6	C6	C5	H4	55.1°	56.4°
O5	C2	C1	O2	119.4°	121.0°
O5	C2	O2	C6'	1.1°	54.1°
C2	O5	C5	H4	109.8°	78.6°
O5	C2	C1	H5	167.8°	173.7°
O5	C2	C1	H6	74.7°	66.2°
O5	C2	C3	H19	75.5°	120.8°
C1	C2	O2	C6'	121.7°	66.9°
C2	C1	H5	H6	116.0°	120.0°
C2	C1	O1	H7	180.0°	180.0°
C1	C2	C3	H19	46.4°	1.4°
C2	O2	C6'	C5'	170.4°	174.1°
O2	C2	C1	H5	72.8°	52.7°
O2	C2	C1	H6	44.7°	172.8°
C2	O2	C6'	H8	68.5°	65.9°
C2	O2	C6'	H9	49.3°	54.1°
O2	C2	C3	H19	167.7°	119.6°
O2	C6'	C5'	H8	121.1°	120.0°
O2	C6'	C5'	H9	121.1°	120.0°
O2	C6'	C5'	O5'	27.1°	66.5°
O2	C6'	C5'	C4'	149.6°	179.5°
O2	C6'	H8	H9	116.6°	120.0°
O2	C6'	C5'	H10	91.0°	56.4°
C6'	C5'	O5'	C4'	129.4°	118.5°
C6'	C5'	O5'	H10	117.5°	122.8°
C6'	C5'	C4'	H10	119.2°	122.9°
C6'	C5'	O5'	C2'	157.0°	158.6°
C6'	C5'	C4'	O4'	72.5°	86.3°
C6'	C5'	C4'	C3'	173.9°	155.6°
C5'	C6'	H8	H9	116.6°	120.0°
C6'	C5'	C4'	H17	55.2°	37.4°
O5'	C5'	C4'	H10	113.8°	118.6°
O5'	C5'	C4'	O4'	160.5°	155.2°
O5'	C5'	C4'	C3'	46.9°	37.0°
C5'	O5'	C2'	C3'	2.5°	26.5°
C5'	O5'	C2'	C1'	124.1°	92.9°
C5'	O5'	C2'	O2'	114.6°	145.9°
O5'	C5'	C6'	H8	93.9°	53.6°
O5'	C5'	C6'	H9	148.2°	173.5°
O5'	C5'	C4'	H17	71.8°	81.1°
C4'	C5'	O5'	C2'	27.6°	40.1°
C5'	C4'	O4'	C3'	105.8°	112.7°
C5'	C4'	O4'	H17	126.8°	123.7°
C5'	C4'	C3'	H17	118.2°	118.2°
C5'	C4'	C3'	C2'	46.7°	20.9°
C5'	C4'	C3'	O3'	168.7°	139.6°
C4'	C5'	C6'	H8	28.6°	60.5°
C4'	C5'	C6'	H9	89.3°	59.4°
C5'	C4'	C3'	H15	68.1°	97.9°
C5'	C4'	O4'	H18	180.0°	180.0°
O5'	C2'	C3'	C4'	32.2°	2.0°
O5'	C2'	C1'	O1'	52.1°	61.5°
O5'	C2'	C3'	C1'	120.2°	119.4°
O5'	C2'	C3'	O2'	116.9°	119.4°
O5'	C2'	C1'	O2'	120.7°	121.1°
O5'	C2'	C3'	O3'	153.7°	116.6°
C2'	O5'	C5'	H10	85.6°	78.6°
O5'	C2'	O2'	H11	180.0°	61.5°
O5'	C2'	C1'	H12	173.1°	178.5°
O5'	C2'	C1'	H13	68.9°	58.6°
O5'	C2'	C3'	H15	83.1°	120.8°
O4'	C4'	C3'	H17	128.0°	123.6°
O4'	C4'	C3'	C2'	160.5°	139.1°
O4'	C4'	C3'	O3'	77.5°	102.3°
O4'	C4'	C5'	H10	46.7°	36.6°
O4'	C4'	C3'	H15	45.7°	20.3°
C4'	C3'	C2'	O3'	121.5°	118.6°
C4'	C3'	C2'	H15	115.3°	118.9°
C4'	C3'	C2'	C1'	152.4°	117.4°
C4'	C3'	C2'	O2'	84.7°	121.4°
C4'	C3'	O3'	H15	122.7°	122.7°
C3'	C4'	C5'	H10	66.9°	81.5°
C4'	C3'	O3'	H16	180.0°	65.3°
C3'	C4'	O4'	H18	74.2°	67.3°
O1'	C1'	C2'	C3'	64.7°	179.3°
O1'	C1'	C2'	H12	121.0°	120.0°
O1'	C1'	C2'	H13	121.0°	120.1°
O1'	C1'	C2'	O2'	172.8°	59.6°
O1'	C1'	H12	H13	116.9°	120.0°
C3'	C2'	C1'	O2'	122.5°	121.1°
C2'	C3'	O3'	H15	122.2°	122.6°
C3'	C2'	O2'	H11	65.9°	179.3°
C3'	C2'	C1'	H12	56.4°	60.8°
C3'	C2'	C1'	H13	174.3°	59.2°
C2'	C3'	O3'	H16	64.9°	180.0°
C2'	C3'	C4'	H17	71.5°	97.3°
C1'	C2'	C3'	O3'	86.2°	124.0°
C1'	C2'	O2'	H11	58.5°	59.6°
C2'	C1'	H12	H13	116.9°	120.0°
C2'	C1'	O1'	H14	180.0°	179.9°
C1'	C2'	C3'	H15	37.1°	1.5°
O2'	C2'	C3'	O3'	36.8°	2.8°
O2'	C2'	C1'	H12	66.2°	60.4°
O2'	C2'	C1'	H13	51.8°	179.7°
O2'	C2'	C3'	H15	160.0°	119.8°
O3'	C3'	C4'	H17	50.4°	21.4°
H1	O6	C6	H2	58.8°	60.0°
H1	O6	C6	H3	58.8°	60.1°
H2	C6	C5	H4	66.2°	176.4°
H3	C6	C5	H4	176.3°	63.6°
H4	C5	C4	H21	154.4°	160.3°
H5	C1	O1	H7	58.7°	60.1°
H6	C1	O1	H7	58.8°	60.0°
H8	C6'	C5'	H10	147.9°	176.5°
H9	C6'	C5'	H10	30.1°	63.6°
H10	C5'	C4'	H17	174.4°	160.3°
H12	C1'	O1'	H14	59.0°	60.0°
H13	C1'	O1'	H14	59.0°	60.0°
H15	C3'	O3'	H16	57.3°	57.4°
H15	C3'	C4'	H17	173.7°	143.9°
H17	C4'	O4'	H18	53.2°	56.3°
H19	C3	O3	H20	56.9°	57.5°
H19	C3	C4	H21	168.0°	144.0°
H21	C4	O4	H22	54.0°	56.3°

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