3T5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F	C5	sing	1.40Å	1.33Å
O6	P	doub	1.48Å	1.60Å
P	O7	sing	1.61Å	1.61Å
P	O8	sing	1.61Å	1.48Å
P	O5	sing	1.61Å	1.65Å
C2	C1	sing	1.53Å	1.54Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C4	O1	sing	1.43Å	1.44Å
O1	HO1	sing	0.97Å	0.95Å
C21	C2	sing	1.53Å	1.54Å
C17	C2	sing	1.55Å	1.52Å
C2	C3	sing	1.52Å	1.54Å
C11	O2	doub	1.22Å	1.23Å
C3	C4	sing	1.54Å	1.56Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
O3	C21	sing	1.43Å	1.44Å
O3	HO3	sing	0.97Å	0.95Å
C5	C4	sing	1.53Å	1.56Å
C4	H4	sing	1.09Å	1.10Å
C22	O4	doub	1.21Å	1.23Å
C16	C5	sing	1.54Å	1.55Å
C5	C7	sing	1.53Å	1.54Å
C23	O5	sing	1.43Å	1.44Å
C13	C7	sing	1.50Å	1.53Å
C7	C9	sing	1.49Å	1.40Å
C7	C8	sing	1.53Å	1.53Å
O7	HO7	sing	0.97Å	0.95Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C8	H8B	sing	1.09Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å
C9	C10	doub	1.32Å	1.39Å
C9	H9	sing	1.08Å	1.08Å
C11	C10	sing	1.47Å	1.39Å
C10	H10	sing	1.08Å	1.08Å
C12	C11	sing	1.47Å	1.39Å
C13	C12	doub	1.33Å	1.39Å
C12	H12	sing	1.08Å	1.08Å
C14	C13	sing	1.52Å	1.53Å
C15	C14	sing	1.53Å	1.54Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C15	C16	sing	1.51Å	1.54Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C17	C16	sing	1.54Å	1.53Å
C16	H16	sing	1.09Å	1.10Å
C18	C17	sing	1.53Å	1.53Å
C17	H17	sing	1.09Å	1.10Å
C19	C18	sing	1.55Å	1.54Å
C18	H18	sing	1.09Å	1.10Å
C18	H18A	sing	1.09Å	1.10Å
C20	C19	sing	1.53Å	1.54Å
C19	C21	sing	1.55Å	1.55Å
C19	H19	sing	1.09Å	1.10Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C20	H20B	sing	1.09Å	1.10Å
C22	C21	sing	1.51Å	1.54Å
C23	C22	sing	1.51Å	1.54Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C5	C4	108.0°	109.2°
F	C5	C16	105.1°	109.2°
F	C5	C7	106.9°	109.2°
O6	P	O7	106.9°	109.5°
O6	P	O8	111.5°	109.5°
O6	P	O5	107.3°	109.5°
O7	P	O8	113.6°	109.5°
O7	P	O5	104.5°	109.5°
P	O7	HO7	109.5°	114.0°
O8	P	O5	112.6°	109.5°
P	O8	HO8	109.5°	114.0°
P	O5	C23	120.4°	123.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.5°	109.4°
C2	C1	H1B	109.5°	109.5°
C1	C2	C21	110.8°	109.8°
C1	C2	C17	111.9°	109.8°
C1	C2	C3	110.9°	109.8°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.5°	109.5°
H1A	C1	H1B	109.5°	109.4°
C4	O1	HO1	109.5°	114.0°
O1	C4	C3	109.9°	109.0°
O1	C4	C5	111.6°	109.0°
O1	C4	H4	109.4°	109.0°
C21	C2	C17	98.9°	103.4°
C21	C2	C3	114.3°	116.4°
C2	C21	O3	110.7°	110.4°
C2	C21	C19	102.8°	105.1°
C2	C21	C22	112.8°	110.5°
C17	C2	C3	109.6°	107.2°
C2	C17	C16	113.2°	106.8°
C2	C17	C18	103.1°	101.7°
C2	C17	H17	114.5°	110.5°
C2	C3	C4	111.1°	107.1°
C2	C3	H3	108.9°	109.9°
C2	C3	H3A	108.9°	109.9°
O2	C11	C10	119.2°	120.7°
O2	C11	C12	120.8°	120.7°
C4	C3	H3	108.9°	109.9°
C4	C3	H3A	108.9°	109.9°
C3	C4	C5	114.0°	111.7°
C3	C4	H4	106.8°	109.0°
H3	C3	H3A	110.0°	110.0°
C21	O3	HO3	109.5°	114.0°
O3	C21	C19	110.7°	110.3°
O3	C21	C22	107.9°	110.2°
C5	C4	H4	104.9°	109.0°
C4	C5	C16	111.7°	111.7°
C4	C5	C7	112.8°	109.3°
O4	C22	C21	121.4°	120.0°
O4	C22	C23	120.3°	120.0°
C16	C5	C7	111.8°	108.2°
C5	C16	C15	111.8°	110.5°
C5	C16	C17	108.4°	106.5°
C5	C16	H16	109.1°	109.7°
C5	C7	C13	107.1°	109.4°
C5	C7	C9	110.1°	110.7°
C5	C7	C8	113.1°	107.7°
O5	C23	C22	112.7°	109.5°
O5	C23	H23	108.4°	109.5°
O5	C23	H23A	108.4°	109.5°
C13	C7	C9	112.7°	113.9°
C13	C7	C8	106.7°	107.0°
C7	C13	C12	122.2°	123.0°
C7	C13	C14	116.7°	118.1°
C9	C7	C8	107.2°	107.8°
C7	C9	C10	123.7°	124.1°
C7	C9	H9	118.2°	118.0°
C7	C8	H8	109.5°	109.5°
C7	C8	H8A	109.5°	109.5°
C7	C8	H8B	109.4°	109.5°
H8	C8	H8A	109.5°	109.5°
H8	C8	H8B	109.5°	109.4°
H8A	C8	H8B	109.5°	109.5°
C10	C9	H9	118.1°	117.9°
C9	C10	C11	121.8°	119.8°
C9	C10	H10	119.1°	120.1°
C11	C10	H10	119.1°	120.1°
C10	C11	C12	120.0°	118.5°
C11	C12	C13	119.5°	120.6°
C11	C12	H12	120.2°	119.7°
C13	C12	H12	120.2°	119.7°
C12	C13	C14	121.0°	118.9°
C13	C14	C15	109.6°	108.2°
C13	C14	H14	109.4°	109.8°
C13	C14	H14A	109.4°	109.8°
C15	C14	H14	109.4°	109.7°
C15	C14	H14A	109.4°	109.7°
C14	C15	C16	113.1°	109.1°
C14	C15	H15	108.3°	109.5°
C14	C15	H15A	108.3°	109.4°
H14	C14	H14A	109.5°	109.7°
C16	C15	H15	108.3°	109.7°
C16	C15	H15A	108.3°	109.7°
C15	C16	C17	110.8°	109.0°
C15	C16	H16	106.5°	109.7°
H15	C15	H15A	110.6°	109.4°
C17	C16	H16	110.2°	111.2°
C16	C17	C18	117.4°	115.3°
C16	C17	H17	99.1°	111.0°
C18	C17	H17	110.0°	111.0°
C17	C18	C19	102.9°	102.9°
C17	C18	H18	111.7°	110.7°
C17	C18	H18A	111.7°	110.8°
C19	C18	H18	111.7°	110.7°
C19	C18	H18A	111.7°	110.9°
C18	C19	C20	111.4°	110.0°
C18	C19	C21	106.1°	106.4°
C18	C19	H19	111.4°	110.1°
H18	C18	H18A	107.1°	110.6°
C20	C19	C21	112.0°	110.0°
C20	C19	H19	105.4°	110.1°
C19	C20	H20	109.5°	109.5°
C19	C20	H20A	109.5°	109.5°
C19	C20	H20B	109.5°	109.5°
C21	C19	H19	110.7°	110.1°
C19	C21	C22	111.9°	110.3°
H20	C20	H20A	109.5°	109.5°
H20	C20	H20B	109.4°	109.5°
H20A	C20	H20B	109.5°	109.4°
C21	C22	C23	118.3°	120.0°
C22	C23	H23	108.4°	109.5°
C22	C23	H23A	108.4°	109.4°
H23	C23	H23A	110.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C5	C4	O1	170.1°	173.5°
F	C5	C4	C3	64.7°	65.9°
F	C5	C4	C16	115.1°	120.9°
F	C5	C4	C7	117.9°	119.4°
F	C5	C4	H4	51.8°	54.6°
F	C5	C16	C7	115.6°	118.7°
F	C5	C7	C13	58.4°	64.7°
F	C5	C7	C9	64.5°	61.7°
F	C5	C7	C8	175.6°	179.3°
F	C5	C16	C15	59.3°	55.2°
F	C5	C16	C17	63.2°	63.2°
F	C5	C16	H16	176.9°	176.3°
O6	P	O7	O8	123.4°	120.0°
O6	P	O7	O5	113.5°	120.0°
O6	P	O8	O5	120.6°	120.0°
O6	P	O5	C23	77.2°	55.0°
O6	P	O7	HO7	0.0°	60.1°
O6	P	O8	HO8	0.0°	180.0°
O7	P	O8	O5	118.5°	120.0°
O7	P	O5	C23	36.1°	175.0°
O7	P	O8	HO8	120.9°	60.0°
O8	P	O5	C23	159.8°	65.0°
O8	P	O7	HO7	123.4°	59.9°
O5	P	O7	HO7	113.6°	179.9°
O5	P	O8	HO8	120.7°	60.0°
P	O5	C23	C22	160.5°	180.0°
P	O5	C23	H23	79.4°	60.0°
P	O5	C23	H23A	40.5°	60.0°
C2	C1	H1	H1A	120.0°	120.0°
C2	C1	H1	H1B	120.0°	120.0°
C2	C1	H1A	H1B	120.0°	120.0°
C1	C2	C21	C17	117.6°	117.2°
C1	C2	C21	C3	126.2°	125.6°
C1	C2	C17	C3	123.4°	119.2°
C1	C2	C3	C4	70.7°	54.4°
C1	C2	C3	H3	49.3°	65.0°
C1	C2	C3	H3A	169.3°	173.8°
C1	C2	C21	O3	168.3°	153.1°
C1	C2	C17	C16	62.2°	48.5°
C1	C2	C17	C18	65.7°	72.7°
C1	C2	C17	H17	174.9°	169.3°
C1	C2	C21	C19	73.4°	87.9°
C1	C2	C21	C22	47.2°	31.0°
H1	C1	H1A	H1B	120.0°	120.1°
H1	C1	C2	C21	180.0°	160.6°
H1	C1	C2	C17	70.7°	47.5°
H1	C1	C2	C3	52.0°	70.1°
H1A	C1	C2	C21	60.0°	40.6°
H1A	C1	C2	C17	49.3°	72.5°
H1A	C1	C2	C3	172.0°	169.9°
H1B	C1	C2	C21	60.0°	79.3°
H1B	C1	C2	C17	169.3°	167.6°
H1B	C1	C2	C3	68.0°	50.0°
O1	C4	C3	C2	76.4°	63.2°
O1	C4	C3	C5	126.1°	120.6°
O1	C4	C3	H4	118.6°	118.9°
O1	C4	C3	H3	43.6°	56.3°
O1	C4	C3	H3A	163.6°	177.5°
O1	C4	C5	H4	118.4°	118.9°
O1	C4	C5	C16	74.8°	65.6°
O1	C4	C5	C7	52.2°	54.1°
HO1	O1	C4	C3	180.0°	60.0°
HO1	O1	C4	C5	52.6°	177.8°
HO1	O1	C4	H4	63.1°	59.0°
C21	C2	C17	C3	119.8°	123.6°
C21	C2	C3	C4	163.2°	180.0°
C21	C2	C3	H3	76.8°	60.6°
C21	C2	C3	H3A	43.1°	60.6°
C2	C21	O3	C19	113.4°	115.8°
C2	C21	O3	C22	123.9°	122.3°
C2	C21	O3	HO3	180.0°	177.1°
C2	C21	C22	O4	92.4°	91.4°
C21	C2	C17	C16	179.0°	165.7°
C21	C2	C17	C18	51.1°	44.4°
C21	C2	C17	H17	68.4°	73.5°
C2	C21	C19	C18	22.0°	3.5°
C2	C21	C19	C20	143.7°	122.7°
C2	C21	C19	C22	121.3°	119.1°
C2	C21	C19	H19	99.0°	115.8°
C2	C21	C22	C23	89.0°	88.6°
C17	C2	C3	C4	53.3°	64.8°
C17	C2	C3	H3	173.3°	175.7°
C17	C2	C3	H3A	66.7°	54.5°
C17	C2	C21	O3	74.1°	89.7°
C2	C17	C16	C5	61.0°	64.9°
C2	C17	C16	C15	176.0°	175.8°
C2	C17	C16	C18	120.0°	112.2°
C2	C17	C16	H17	121.7°	120.5°
C2	C17	C16	H16	58.3°	54.6°
C2	C17	C18	H17	122.5°	117.6°
C2	C17	C18	C19	37.4°	41.6°
C2	C17	C18	H18	82.6°	76.8°
C2	C17	C18	H18A	157.4°	160.1°
C17	C2	C21	C19	44.2°	29.3°
C17	C2	C21	C22	164.8°	148.2°
C2	C3	C4	H3	120.0°	119.4°
C2	C3	C4	H3A	120.0°	119.4°
C2	C3	H3	H3A	119.3°	121.2°
C3	C2	C21	O3	42.1°	27.5°
C2	C3	C4	C5	49.7°	57.5°
C2	C3	C4	H4	165.0°	177.9°
C3	C2	C17	C16	61.2°	70.7°
C3	C2	C17	C18	170.9°	168.0°
C3	C2	C17	H17	51.5°	50.1°
C3	C2	C21	C19	160.4°	146.5°
C3	C2	C21	C22	78.9°	94.6°
O2	C11	C10	C9	179.7°	177.7°
O2	C11	C10	C12	179.4°	179.9°
O2	C11	C10	H10	0.2°	2.3°
O2	C11	C12	C13	179.0°	177.9°
O2	C11	C12	H12	0.9°	2.1°
C4	C3	H3	H3A	119.3°	121.2°
C3	C4	C5	H4	116.4°	120.5°
C3	C4	C5	C16	50.4°	55.0°
C3	C4	C5	C7	177.4°	174.7°
H3	C3	C4	C5	169.6°	176.9°
H3	C3	C4	H4	75.0°	62.7°
H3A	C3	C4	C5	70.4°	61.9°
H3A	C3	C4	H4	45.0°	58.6°
O3	C21	C22	O4	144.9°	146.4°
O3	C21	C19	C18	96.3°	115.5°
O3	C21	C19	C20	25.4°	3.7°
O3	C21	C19	C22	120.4°	121.9°
O3	C21	C19	H19	142.8°	125.2°
O3	C21	C22	C23	33.6°	33.7°
HO3	O3	C21	C19	66.6°	61.4°
HO3	O3	C21	C22	56.1°	60.6°
C4	C5	C16	C7	127.5°	120.4°
C4	C5	C7	C13	177.0°	175.9°
C4	C5	C7	C9	54.1°	57.8°
C4	C5	C7	C8	65.8°	59.9°
C4	C5	C16	C15	176.1°	176.1°
C4	C5	C16	C17	53.7°	57.7°
C4	C5	C16	H16	66.3°	62.8°
H4	C4	C5	C16	166.8°	175.5°
H4	C4	C5	C7	66.2°	64.8°
O4	C22	C23	O5	4.3°	0.0°
O4	C22	C21	C19	22.9°	24.4°
O4	C22	C21	C23	178.5°	180.0°
O4	C22	C23	H23	124.3°	120.0°
O4	C22	C23	H23A	115.8°	120.1°
C16	C5	C7	C13	56.1°	54.0°
C16	C5	C7	C9	179.0°	179.6°
C16	C5	C7	C8	61.2°	62.0°
C5	C16	C15	C14	52.3°	64.7°
C5	C16	C15	C17	121.0°	116.8°
C5	C16	C15	H16	119.1°	121.1°
C5	C16	C15	H15	172.3°	175.5°
C5	C16	C15	H15A	67.8°	55.2°
C5	C16	C17	H16	119.3°	119.5°
C5	C16	C17	C18	179.0°	177.1°
C5	C16	C17	H17	60.8°	55.6°
C5	C7	C13	C9	121.2°	124.5°
C5	C7	C13	C8	121.4°	116.4°
C5	C7	C9	C8	123.4°	117.6°
C5	C7	C8	H8	180.0°	79.2°
C5	C7	C8	H8A	60.0°	160.8°
C5	C7	C8	H8B	60.0°	40.7°
C5	C7	C9	C10	121.0°	126.9°
C5	C7	C9	H9	59.0°	53.1°
C5	C7	C13	C12	122.0°	127.9°
C5	C7	C13	C14	56.9°	51.5°
C7	C5	C16	C15	56.4°	63.6°
C7	C5	C16	C17	178.8°	178.1°
C7	C5	C16	H16	61.2°	57.6°
O5	C23	C22	C21	177.2°	180.0°
O5	C23	C22	H23	120.0°	120.0°
O5	C23	C22	H23A	120.0°	120.0°
O5	C23	H23	H23A	118.6°	120.0°
C13	C7	C9	C8	117.2°	118.6°
C13	C7	C8	H8	62.6°	163.2°
C13	C7	C8	H8A	57.5°	43.2°
C13	C7	C8	H8B	177.5°	76.8°
C13	C7	C9	C10	1.6°	3.1°
C13	C7	C9	H9	178.5°	176.9°
C7	C13	C12	C11	0.1°	0.9°
C7	C13	C12	C14	178.8°	179.4°
C7	C13	C12	H12	180.0°	179.1°
C7	C13	C14	C15	53.7°	51.5°
C7	C13	C14	H14	66.4°	68.2°
C7	C13	C14	H14A	173.7°	171.2°
C9	C7	C8	H8	58.5°	40.3°
C9	C7	C8	H8A	178.5°	79.7°
C9	C7	C8	H8B	61.5°	160.3°
C7	C9	C10	H9	180.0°	180.0°
C7	C9	C10	C11	1.4°	0.4°
C7	C9	C10	H10	178.6°	179.6°
C9	C7	C13	C12	0.8°	3.4°
C9	C7	C13	C14	178.0°	176.1°
C7	C8	H8	H8A	120.0°	120.0°
C7	C8	H8	H8B	120.0°	120.0°
C7	C8	H8A	H8B	120.0°	120.0°
C8	C7	C9	C10	115.6°	115.5°
C8	C7	C9	H9	64.4°	64.5°
C8	C7	C13	C12	116.6°	115.7°
C8	C7	C13	C14	64.5°	64.9°
H8	C8	H8A	H8B	120.0°	120.0°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.3°	2.3°
H9	C9	C10	C11	178.6°	179.6°
H9	C9	C10	H10	1.4°	0.5°
C10	C11	C12	C13	0.3°	2.0°
C10	C11	C12	H12	179.7°	178.0°
H10	C10	C11	C12	179.6°	177.8°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	178.9°	178.5°
C12	C13	C14	C15	125.2°	128.0°
C12	C13	C14	H14	114.8°	112.4°
C12	C13	C14	H14A	5.2°	8.3°
H12	C12	C13	C14	1.1°	1.5°
C13	C14	C15	H14	120.0°	119.7°
C13	C14	C15	H14A	120.0°	119.7°
C13	C14	H14	H14A	120.0°	120.7°
C13	C14	C15	C16	49.1°	55.2°
C13	C14	C15	H15	169.1°	175.2°
C13	C14	C15	H15A	70.9°	64.9°
C15	C14	H14	H14A	119.9°	120.6°
C14	C15	C16	H15	120.0°	119.9°
C14	C15	C16	H15A	120.0°	119.9°
C14	C15	H15	H15A	118.6°	119.9°
C14	C15	C16	C17	173.3°	178.6°
C14	C15	C16	H16	66.9°	56.5°
H14	C14	C15	C16	71.0°	64.5°
H14	C14	C15	H15	49.0°	55.5°
H14	C14	C15	H15A	169.0°	175.4°
H14A	C14	C15	C16	169.1°	174.9°
H14A	C14	C15	H15	70.9°	65.1°
H14A	C14	C15	H15A	49.1°	54.9°
C16	C15	H15	H15A	118.5°	120.4°
C15	C16	C17	H16	117.7°	121.2°
C15	C16	C17	C18	56.0°	63.6°
C15	C16	C17	H17	62.3°	63.7°
H15	C15	C16	C17	66.7°	58.7°
H15	C15	C16	H16	53.2°	63.4°
H15A	C15	C16	C17	53.3°	61.6°
H15A	C15	C16	H16	173.1°	176.3°
C16	C17	C18	H17	112.3°	127.3°
C16	C17	C18	C19	162.7°	156.7°
C16	C17	C18	H18	42.7°	38.4°
C16	C17	C18	H18A	77.4°	84.7°
H16	C16	C17	C18	61.7°	57.5°
H16	C16	C17	H17	180.0°	175.2°
C17	C18	C19	H18	120.0°	118.4°
C17	C18	C19	H18A	120.0°	118.5°
C17	C18	H18	H18A	122.7°	123.2°
C17	C18	C19	C20	113.1°	95.3°
C17	C18	C19	C21	9.0°	23.9°
C17	C18	C19	H19	129.5°	143.1°
H17	C17	C18	C19	85.1°	76.0°
H17	C17	C18	H18	154.9°	165.7°
H17	C17	C18	H18A	34.9°	42.5°
C19	C18	H18	H18A	122.7°	123.3°
C18	C19	C20	C21	118.6°	116.9°
C18	C19	C20	H19	120.9°	121.6°
C18	C19	C21	H19	121.0°	119.3°
C18	C19	C20	H20	180.0°	58.5°
C18	C19	C20	H20A	60.0°	178.6°
C18	C19	C20	H20B	60.0°	61.5°
C18	C19	C21	C22	143.3°	122.5°
H18	C18	C19	C20	126.9°	146.4°
H18	C18	C19	C21	111.0°	94.5°
H18	C18	C19	H19	9.5°	24.8°
H18A	C18	C19	C20	6.9°	23.2°
H18A	C18	C19	C21	129.0°	142.4°
H18A	C18	C19	H19	110.5°	98.4°
C20	C19	C21	H19	117.3°	121.6°
C19	C20	H20	H20A	120.0°	120.0°
C19	C20	H20	H20B	120.0°	120.0°
C19	C20	H20A	H20B	120.0°	120.0°
C20	C19	C21	C22	95.0°	118.3°
C21	C19	C20	H20	61.4°	58.5°
C21	C19	C20	H20A	178.6°	61.6°
C21	C19	C20	H20B	58.6°	178.5°
C19	C21	C22	C23	155.6°	155.6°
H19	C19	C20	H20	59.1°	180.0°
H19	C19	C20	H20A	60.9°	59.9°
H19	C19	C20	H20B	179.1°	60.0°
H19	C19	C21	C22	22.3°	3.3°
H20	C20	H20A	H20B	119.9°	120.0°
C21	C22	C23	H23	57.2°	60.0°
C21	C22	C23	H23A	62.8°	60.0°
C22	C23	H23	H23A	118.7°	120.0°

Definition date:	2011-08-15
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3TC5