PRD_900068

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OS2	S	doub	1.42Å	1.49Å
O4	C4	sing	1.43Å	1.43Å
O3	S	sing	1.52Å	1.58Å
O3	C3	sing	1.43Å	1.42Å
S	OS1	doub	1.42Å	1.47Å
S	OS3	sing	1.52Å	1.45Å
O3'	C3'	sing	1.43Å	1.43Å
C4	C3	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.53Å
O2'	C2'	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.52Å
C2	O2	sing	1.43Å	1.44Å
C2	C1	sing	1.53Å	1.52Å
C3'	C2'	sing	1.53Å	1.52Å
C3'	C4'	sing	1.53Å	1.53Å
O1	C1	sing	1.43Å	1.43Å
O1	C4'	sing	1.43Å	1.43Å
O5	C5	sing	1.43Å	1.44Å
O5	C1	sing	1.43Å	1.43Å
C6	C5	sing	1.53Å	1.53Å
C6	O6	sing	1.43Å	1.44Å
C2'	C1'	sing	1.53Å	1.53Å
C4'	C5'	sing	1.53Å	1.52Å
C1'	O1'	sing	1.43Å	1.43Å
C1'	O5'	sing	1.43Å	1.43Å
C5'	O5'	sing	1.43Å	1.43Å
C5'	C6'	sing	1.53Å	1.52Å
C6'	O6'	sing	1.43Å	1.43Å
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	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
O2	H8	sing	0.97Å	0.95Å
O4	H9	sing	0.97Å	0.95Å
O6	H10	sing	0.97Å	0.95Å
C1'	H11	sing	1.09Å	1.10Å
C2'	H12	sing	1.09Å	1.10Å
C3'	H13	sing	1.09Å	1.10Å
C4'	H14	sing	1.09Å	1.10Å
C5'	H15	sing	1.09Å	1.10Å
C6'	H16	sing	1.09Å	1.10Å
C6'	H17	sing	1.09Å	1.10Å
O1'	H18	sing	0.97Å	0.95Å
O2'	H19	sing	0.97Å	0.95Å
O3'	H20	sing	0.97Å	0.95Å
O6'	H21	sing	0.97Å	0.95Å
OS3	H22	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OS2	S	O3	105.3°	106.4°
OS2	S	OS1	111.1°	123.2°
OS2	S	OS3	109.0°	106.4°
O4	C4	C3	107.4°	109.5°
O4	C4	C5	109.6°	109.5°
O4	C4	H4	110.6°	109.6°
C4	O4	H9	109.5°	114.0°
S	O3	C3	118.2°	114.0°
O3	S	OS1	114.0°	106.4°
O3	S	OS3	102.8°	107.2°
O3	C3	C4	111.5°	109.6°
O3	C3	C2	107.1°	109.6°
O3	C3	H3	110.0°	109.6°
OS1	S	OS3	114.1°	106.4°
S	OS3	H22	109.5°	114.0°
O3'	C3'	C2'	109.0°	109.5°
O3'	C3'	C4'	111.2°	109.5°
O3'	C3'	H13	109.2°	109.7°
C3'	O3'	H20	109.5°	114.0°
C3	C4	C5	111.0°	109.2°
C4	C3	C2	110.9°	109.0°
C4	C3	H3	108.5°	109.5°
C3	C4	H4	109.1°	109.5°
C4	C5	O5	109.4°	109.4°
C4	C5	C6	114.2°	109.5°
C5	C4	H4	109.1°	109.5°
C4	C5	H5	108.5°	109.5°
O2'	C2'	C3'	108.6°	109.6°
O2'	C2'	C1'	110.0°	109.5°
O2'	C2'	H12	110.0°	109.5°
C2'	O2'	H19	109.5°	114.0°
C3	C2	O2	109.0°	109.5°
C3	C2	C1	112.2°	109.2°
C3	C2	H2	108.8°	109.5°
C2	C3	H3	108.7°	109.5°
O2	C2	C1	108.2°	109.5°
O2	C2	H2	109.9°	109.6°
C2	O2	H8	109.5°	114.0°
C2	C1	O1	104.9°	109.4°
C2	C1	O5	111.5°	109.4°
C2	C1	H1	109.4°	109.5°
C1	C2	H2	108.8°	109.5°
C2'	C3'	C4'	111.4°	109.0°
C3'	C2'	C1'	110.7°	109.1°
C3'	C2'	H12	108.9°	109.5°
C2'	C3'	H13	108.0°	109.5°
C3'	C4'	O1	106.2°	109.5°
C3'	C4'	C5'	109.8°	109.2°
C4'	C3'	H13	107.9°	109.6°
C3'	C4'	H14	109.4°	109.6°
C1	O1	C4'	112.4°	114.0°
O1	C1	O5	109.5°	109.5°
O1	C1	H1	110.7°	109.5°
O1	C4'	C5'	111.2°	109.5°
O1	C4'	H14	110.8°	109.5°
C5	O5	C1	111.4°	114.1°
O5	C5	C6	106.3°	109.5°
O5	C5	H5	109.8°	109.4°
O5	C1	H1	110.7°	109.5°
C5	C6	O6	109.9°	109.5°
C6	C5	H5	108.6°	109.4°
C5	C6	H6	109.4°	109.5°
C5	C6	H7	109.3°	109.4°
O6	C6	H6	109.4°	109.5°
O6	C6	H7	109.3°	109.5°
C6	O6	H10	109.5°	114.0°
C2'	C1'	O1'	106.6°	109.5°
C2'	C1'	O5'	108.9°	109.4°
C2'	C1'	H11	109.8°	109.5°
C1'	C2'	H12	108.7°	109.5°
C4'	C5'	O5'	109.6°	109.4°
C4'	C5'	C6'	113.0°	109.5°
C5'	C4'	H14	109.4°	109.6°
C4'	C5'	H15	108.1°	109.4°
O1'	C1'	O5'	109.1°	109.5°
O1'	C1'	H11	111.2°	109.4°
C1'	O1'	H18	109.5°	114.0°
C1'	O5'	C5'	111.0°	114.1°
O5'	C1'	H11	111.2°	109.4°
O5'	C5'	C6'	108.7°	109.5°
O5'	C5'	H15	109.3°	109.5°
C5'	C6'	O6'	112.3°	109.5°
C6'	C5'	H15	108.1°	109.5°
C5'	C6'	H16	108.8°	109.5°
C5'	C6'	H17	108.7°	109.5°
O6'	C6'	H16	108.8°	109.5°
O6'	C6'	H17	108.8°	109.5°
C6'	O6'	H21	109.5°	114.0°
H6	C6	H7	109.5°	109.4°
H16	C6'	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OS2	S	O3	OS1	122.0°	132.9°
OS2	S	O3	OS3	114.0°	113.5°
OS2	S	O3	C3	169.4°	38.5°
OS2	S	OS1	OS3	123.6°	123.0°
OS2	S	OS3	H22	0.0°	66.5°
O4	C4	C3	O3	48.5°	57.0°
O4	C4	C3	C5	119.8°	119.9°
O4	C4	C3	H4	119.9°	120.2°
O4	C4	C5	H4	121.2°	120.2°
O4	C4	C3	C2	70.8°	63.0°
O4	C4	C5	O5	61.4°	62.3°
O4	C4	C5	C6	57.6°	57.7°
O4	C4	C3	H3	169.9°	177.2°
O4	C4	C5	H5	178.9°	177.7°
O3	S	OS1	OS3	117.6°	114.1°
S	O3	C3	C4	91.3°	145.4°
S	O3	C3	C2	147.2°	95.0°
S	O3	C3	H3	29.2°	25.2°
O3	S	OS3	H22	111.3°	180.0°
C3	O3	S	OS1	47.4°	171.5°
C3	O3	S	OS3	76.5°	75.0°
O3	C3	C4	C2	119.2°	119.9°
O3	C3	C4	H3	121.4°	120.2°
O3	C3	C4	C5	168.3°	176.9°
O3	C3	C2	H3	118.9°	120.2°
O3	C3	C2	O2	71.5°	63.1°
O3	C3	C2	C1	168.7°	176.9°
O3	C3	C2	H2	48.3°	57.0°
O3	C3	C4	H4	71.4°	63.2°
OS1	S	OS3	H22	124.8°	66.5°
O3'	C3'	C2'	O2'	65.5°	63.2°
O3'	C3'	C2'	C4'	123.1°	119.8°
O3'	C3'	C2'	H13	118.6°	120.3°
O3'	C3'	C4'	H13	119.8°	120.4°
O3'	C3'	C4'	O1	67.7°	63.3°
O3'	C3'	C2'	C1'	173.6°	176.8°
O3'	C3'	C4'	C5'	172.0°	176.8°
O3'	C3'	C2'	H12	54.2°	56.9°
O3'	C3'	C4'	H14	51.9°	56.8°
C3	C4	C5	H4	120.3°	119.9°
C4	C3	C2	H3	119.2°	119.8°
C4	C3	C2	O2	166.6°	176.9°
C4	C3	C2	C1	46.8°	57.0°
C3	C4	C5	O5	57.1°	57.6°
C3	C4	C5	C6	176.1°	177.6°
C4	C3	C2	H2	73.6°	62.9°
C3	C4	C5	H5	62.7°	62.4°
C3	C4	O4	H9	180.0°	180.0°
C5	C4	C3	C2	49.0°	57.0°
C4	C5	O5	C6	123.8°	120.1°
C4	C5	O5	H5	119.0°	120.0°
C4	C5	O5	C1	64.0°	61.1°
C4	C5	C6	H5	121.2°	120.1°
C4	C5	C6	O6	177.7°	175.0°
C5	C4	C3	H3	70.3°	62.9°
C4	C5	C6	H6	62.3°	55.0°
C4	C5	C6	H7	57.6°	65.0°
C5	C4	O4	H9	59.3°	60.2°
O2'	C2'	C3'	C1'	120.9°	119.9°
O2'	C2'	C3'	H12	119.7°	120.2°
O2'	C2'	C3'	C4'	171.3°	176.9°
O2'	C2'	C1'	H12	120.5°	120.1°
O2'	C2'	C1'	O1'	65.5°	62.4°
O2'	C2'	C1'	O5'	177.0°	177.6°
O2'	C2'	C1'	H11	55.1°	57.6°
O2'	C2'	C3'	H13	53.0°	57.1°
C3	C2	O2	C1	122.3°	119.7°
C3	C2	O2	H2	119.1°	120.1°
C3	C2	C1	H2	120.4°	119.9°
C3	C2	C1	O1	171.5°	177.6°
C3	C2	C1	O5	53.2°	57.6°
C3	C2	C1	H1	69.7°	62.4°
C2	C3	C4	H4	169.3°	176.9°
C3	C2	O2	H8	180.0°	180.0°
O2	C2	C1	H2	119.3°	120.2°
O2	C2	C1	O1	68.2°	62.5°
O2	C2	C1	O5	173.4°	177.5°
O2	C2	C1	H1	50.6°	57.5°
O2	C2	C3	H3	47.4°	57.1°
C2	C1	O1	O5	119.7°	119.9°
C2	C1	O1	H1	117.9°	120.0°
C2	C1	O1	C4'	178.0°	175.1°
C2	C1	O5	C5	62.2°	61.2°
C2	C1	O5	H1	122.1°	120.0°
C1	C2	C3	H3	72.4°	62.8°
C1	C2	O2	H8	57.7°	60.3°
C2'	C3'	C4'	H13	118.4°	119.8°
C2'	C3'	C4'	O1	170.4°	176.9°
C3'	C2'	C1'	H12	119.5°	119.9°
C2'	C3'	C4'	C5'	50.1°	57.0°
C3'	C2'	C1'	O1'	174.5°	177.6°
C3'	C2'	C1'	O5'	57.0°	57.6°
C3'	C2'	C1'	H11	64.9°	62.4°
C2'	C3'	C4'	H14	70.0°	63.0°
C3'	C2'	O2'	H19	180.0°	179.7°
C2'	C3'	O3'	H20	180.0°	60.1°
C3'	C4'	O1	C1	132.5°	90.0°
C3'	C4'	O1	C5'	119.4°	119.7°
C3'	C4'	O1	H14	118.7°	120.2°
C4'	C3'	C2'	C1'	50.5°	57.0°
C3'	C4'	C5'	H14	120.1°	120.0°
C3'	C4'	C5'	O5'	56.8°	57.6°
C3'	C4'	C5'	C6'	178.2°	177.6°
C4'	C3'	C2'	H12	69.0°	62.9°
C3'	C4'	C5'	H15	62.2°	62.4°
C4'	C3'	O3'	H20	56.8°	179.6°
O1	C1	O5	C5	177.8°	178.9°
O1	C1	O5	H1	122.4°	120.1°
C1	O1	C4'	C5'	108.1°	150.3°
O1	C1	C2	H2	51.1°	57.7°
C1	O1	C4'	H14	13.8°	30.2°
C4'	O1	C1	O5	62.3°	65.0°
O1	C4'	C5'	H14	122.7°	120.1°
O1	C4'	C5'	O5'	174.1°	177.5°
O1	C4'	C5'	C6'	64.6°	62.5°
C4'	O1	C1	H1	60.1°	55.1°
O1	C4'	C3'	H13	52.1°	57.1°
O1	C4'	C5'	H15	55.0°	57.6°
O5	C5	C6	H5	118.1°	119.9°
O5	C5	C6	O6	57.0°	65.0°
C5	O5	C1	H1	59.9°	58.8°
O5	C5	C4	H4	177.4°	177.5°
O5	C5	C6	H6	177.0°	175.0°
O5	C5	C6	H7	63.1°	55.0°
C1	O5	C5	C6	172.2°	178.8°
O5	C1	C2	H2	67.2°	62.2°
C1	O5	C5	H5	55.0°	58.9°
C5	C6	O6	H6	120.1°	120.1°
C5	C6	O6	H7	120.0°	120.0°
C6	C5	C4	H4	63.6°	62.5°
C5	C6	H6	H7	119.8°	119.9°
C5	C6	O6	H10	180.0°	180.0°
O6	C6	C5	H5	61.1°	55.0°
O6	C6	H6	H7	119.8°	120.0°
C2'	C1'	O1'	O5'	117.4°	120.0°
C2'	C1'	O1'	H11	119.6°	120.0°
C2'	C1'	O5'	H11	121.0°	120.0°
C2'	C1'	O5'	C5'	65.5°	61.1°
C1'	C2'	C3'	H13	67.8°	62.9°
C2'	C1'	O1'	H18	180.0°	179.9°
C1'	C2'	O2'	H19	58.7°	60.0°
C4'	C5'	O5'	C1'	66.1°	61.1°
C4'	C5'	O5'	C6'	123.9°	120.0°
C4'	C5'	O5'	H15	118.3°	119.9°
C4'	C5'	C6'	H15	119.6°	120.0°
C4'	C5'	C6'	O6'	58.5°	175.0°
C5'	C4'	C3'	H13	68.3°	62.8°
C4'	C5'	C6'	H16	178.9°	55.0°
C4'	C5'	C6'	H17	61.9°	65.0°
O1'	C1'	O5'	H11	123.0°	120.0°
O1'	C1'	O5'	C5'	178.5°	178.8°
O1'	C1'	C2'	H12	55.0°	57.7°
C1'	O5'	C5'	C6'	170.0°	178.9°
O5'	C1'	C2'	H12	62.6°	62.3°
C1'	O5'	C5'	H15	52.2°	58.8°
O5'	C1'	O1'	H18	62.6°	59.9°
O5'	C5'	C6'	H15	118.6°	120.1°
O5'	C5'	C6'	O6'	63.3°	65.0°
C5'	O5'	C1'	H11	55.5°	58.9°
O5'	C5'	C4'	H14	63.2°	62.4°
O5'	C5'	C6'	H16	57.1°	175.0°
O5'	C5'	C6'	H17	176.3°	55.0°
C5'	C6'	O6'	H16	120.4°	120.0°
C5'	C6'	O6'	H17	120.4°	120.0°
C6'	C5'	C4'	H14	58.1°	57.6°
C5'	C6'	H16	H17	118.7°	120.0°
C5'	C6'	O6'	H21	180.0°	179.9°
O6'	C6'	C5'	H15	178.1°	55.0°
O6'	C6'	H16	H17	118.8°	120.0°
H1	C1	C2	H2	169.9°	177.7°
H2	C2	C3	H3	167.2°	177.3°
H2	C2	O2	H8	60.9°	59.9°
H3	C3	C4	H4	50.0°	57.0°
H4	C4	C5	H5	57.6°	57.5°
H4	C4	O4	H9	61.0°	59.9°
H5	C5	C6	H6	58.9°	65.1°
H5	C5	C6	H7	178.8°	175.0°
H6	C6	O6	H10	59.9°	60.0°
H7	C6	O6	H10	60.0°	60.0°
H11	C1'	C2'	H12	175.6°	177.7°
H11	C1'	O1'	H18	60.4°	60.1°
H12	C2'	C3'	H13	172.8°	177.2°
H12	C2'	O2'	H19	61.0°	60.2°
H13	C3'	C4'	H14	171.7°	177.2°
H13	C3'	O3'	H20	62.2°	60.1°
H14	C4'	C5'	H15	177.7°	177.7°
H15	C5'	C6'	H16	61.5°	65.0°
H15	C5'	C6'	H17	57.7°	175.0°
H16	C6'	O6'	H21	59.6°	60.0°
H17	C6'	O6'	H21	59.6°	60.0°

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