I4U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OP1	P	doub	1.48Å	1.50Å
O3'	C3'	sing	1.43Å	1.41Å
C43	C41	sing	1.53Å	1.51Å
OP2	P	sing	1.61Å	1.49Å
P	O5'	sing	1.61Å	1.58Å
C3'	C2'	sing	1.54Å	1.52Å
C3'	C4'	sing	1.54Å	1.50Å
O5'	C5'	sing	1.43Å	1.41Å
C5'	C4'	sing	1.53Å	1.50Å
C41	O4	sing	1.43Å	1.42Å
C41	C42	sing	1.53Å	1.52Å
C2'	O2'	sing	1.43Å	1.42Å
C2'	C1'	sing	1.54Å	1.52Å
O4	C4	sing	1.35Å	1.37Å
C5	C4	sing	1.41Å	1.37Å
C5	C6	doub	1.36Å	1.37Å
C4'	O4'	sing	1.44Å	1.44Å
C4	N3	doub	1.33Å	1.33Å
C6	N1	sing	1.36Å	1.32Å
N3	C2	sing	1.33Å	1.34Å
N1	C2	sing	1.35Å	1.40Å
N1	C1'	sing	1.46Å	1.48Å
C2	O2	doub	1.22Å	1.24Å
C1'	O4'	sing	1.44Å	1.41Å
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	1.08Å	1.08Å
C5'	H6	sing	1.09Å	1.10Å
C5'	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
O2'	H9	sing	0.97Å	0.95Å
O3'	H10	sing	0.97Å	0.95Å
OP2	H12	sing	0.97Å	0.95Å
C41	H13	sing	1.09Å	1.10Å
C42	H14	sing	1.09Å	1.10Å
C42	H15	sing	1.09Å	1.10Å
C42	H16	sing	1.09Å	1.10Å
C43	H17	sing	1.09Å	1.10Å
C43	H18	sing	1.09Å	1.10Å
C43	H19	sing	1.09Å	1.10Å
P	OP3	sing	1.61Å	1.60Å
OP3	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OP1	P	OP2	119.0°	109.5°
OP1	P	O5'	106.8°	109.5°
OP1	P	OP3	112.7°	109.5°
O3'	C3'	C2'	115.1°	110.5°
O3'	C3'	C4'	112.7°	110.5°
O3'	C3'	H3	109.6°	110.5°
C3'	O3'	H10	109.5°	114.0°
C43	C41	O4	107.9°	109.5°
C43	C41	C42	109.6°	109.4°
C43	C41	H13	109.2°	109.5°
C41	C43	H17	109.5°	109.4°
C41	C43	H18	109.5°	109.5°
C41	C43	H19	109.5°	109.5°
OP2	P	O5'	107.6°	109.5°
P	OP2	H12	109.5°	114.0°
OP2	P	OP3	105.9°	109.5°
P	O5'	C5'	121.9°	123.0°
O5'	P	OP3	103.8°	109.5°
C2'	C3'	C4'	102.6°	104.1°
C3'	C2'	O2'	110.7°	110.5°
C3'	C2'	C1'	101.1°	104.1°
C3'	C2'	H2	111.5°	110.6°
C2'	C3'	H3	108.1°	110.5°
C3'	C4'	C5'	114.5°	110.4°
C3'	C4'	O4'	103.1°	104.8°
C4'	C3'	H3	108.3°	110.5°
C3'	C4'	H4	109.5°	110.4°
O5'	C5'	C4'	110.1°	109.5°
O5'	C5'	H6	109.3°	109.5°
O5'	C5'	H7	109.3°	109.4°
C5'	C4'	O4'	109.6°	110.4°
C5'	C4'	H4	109.5°	110.4°
C4'	C5'	H6	109.3°	109.5°
C4'	C5'	H7	109.3°	109.4°
O4	C41	C42	110.5°	109.5°
C41	O4	C4	123.3°	117.0°
O4	C41	H13	110.5°	109.5°
C42	C41	H13	109.1°	109.5°
C41	C42	H14	109.5°	109.5°
C41	C42	H15	109.4°	109.5°
C41	C42	H16	109.5°	109.5°
O2'	C2'	C1'	108.2°	110.5°
O2'	C2'	H2	113.2°	110.5°
C2'	O2'	H9	109.5°	114.0°
C2'	C1'	N1	114.1°	110.5°
C2'	C1'	O4'	107.4°	104.8°
C2'	C1'	H1	108.3°	110.4°
C1'	C2'	H2	111.5°	110.5°
O4	C4	C5	121.8°	120.2°
O4	C4	N3	119.1°	120.1°
C4	C5	C6	119.5°	119.0°
C5	C4	N3	119.0°	119.7°
C4	C5	H5	120.3°	120.5°
C5	C6	N1	121.5°	119.2°
C6	C5	H5	120.3°	120.4°
C5	C6	H8	119.2°	120.4°
C4'	O4'	C1'	110.0°	105.3°
O4'	C4'	H4	110.4°	110.3°
C4	N3	C2	121.7°	120.7°
C6	N1	C2	118.1°	120.3°
C6	N1	C1'	118.9°	119.8°
N1	C6	H8	119.2°	120.4°
N3	C2	N1	120.1°	121.1°
N3	C2	O2	118.1°	119.5°
C2	N1	C1'	122.9°	119.9°
N1	C2	O2	121.8°	119.4°
N1	C1'	O4'	108.3°	110.4°
N1	C1'	H1	108.8°	110.4°
O4'	C1'	H1	109.9°	110.3°
H6	C5'	H7	109.5°	109.4°
H14	C42	H15	109.4°	109.5°
H14	C42	H16	109.5°	109.4°
H15	C42	H16	109.5°	109.4°
H17	C43	H18	109.4°	109.5°
H17	C43	H19	109.5°	109.5°
H18	C43	H19	109.5°	109.5°
P	OP3	H11	109.5°	113.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OP1	P	OP2	O5'	121.5°	120.0°
OP1	P	OP2	OP3	128.1°	120.0°
OP1	P	O5'	OP3	119.3°	120.0°
OP1	P	O5'	C5'	47.8°	55.0°
OP1	P	OP2	H12	0.0°	180.0°
OP1	P	OP3	H11	0.0°	60.0°
O3'	C3'	C2'	C4'	122.8°	118.7°
O3'	C3'	C2'	H3	122.9°	122.7°
O3'	C3'	C4'	H3	121.5°	122.7°
O3'	C3'	C4'	C5'	78.2°	98.5°
O3'	C3'	C2'	O2'	45.3°	0.0°
O3'	C3'	C2'	C1'	159.7°	118.7°
O3'	C3'	C4'	O4'	162.8°	142.6°
O3'	C3'	C2'	H2	81.7°	122.7°
O3'	C3'	C4'	H4	45.3°	23.8°
C43	C41	O4	C42	119.8°	119.9°
C43	C41	O4	H13	119.3°	120.0°
C43	C41	C42	H13	119.6°	120.0°
C43	C41	O4	C4	111.8°	150.0°
C43	C41	C42	H14	180.0°	60.0°
C43	C41	C42	H15	60.0°	60.1°
C43	C41	C42	H16	60.0°	180.0°
C41	C43	H17	H18	120.0°	120.0°
C41	C43	H17	H19	120.0°	120.0°
C41	C43	H18	H19	120.0°	120.0°
OP2	P	O5'	OP3	111.9°	120.0°
OP2	P	O5'	C5'	176.6°	65.0°
OP2	P	OP3	H11	131.7°	60.0°
P	O5'	C5'	C4'	169.5°	180.0°
P	O5'	C5'	H6	70.4°	59.9°
P	O5'	C5'	H7	49.4°	60.0°
O5'	P	OP2	H12	121.5°	60.0°
O5'	P	OP3	H11	115.2°	180.0°
C2'	C3'	C4'	H3	114.1°	118.7°
C2'	C3'	C4'	C5'	157.4°	142.8°
C3'	C2'	O2'	C1'	109.9°	114.7°
C3'	C2'	O2'	H2	126.0°	122.7°
C3'	C2'	C1'	H2	118.6°	118.7°
C2'	C3'	C4'	O4'	38.4°	24.0°
C3'	C2'	C1'	N1	97.4°	142.8°
C3'	C2'	C1'	O4'	22.7°	23.9°
C3'	C2'	C1'	H1	141.3°	94.8°
C2'	C3'	C4'	H4	79.1°	94.8°
C3'	C2'	O2'	H9	180.0°	65.4°
C2'	C3'	O3'	H10	180.0°	61.4°
C3'	C4'	C5'	O5'	69.3°	175.0°
C3'	C4'	C5'	O4'	115.3°	115.4°
C3'	C4'	C5'	H4	123.5°	122.3°
C4'	C3'	C2'	O2'	77.6°	118.7°
C4'	C3'	C2'	C1'	36.9°	0.0°
C3'	C4'	O4'	H4	116.9°	118.8°
C3'	C4'	O4'	C1'	24.9°	40.5°
C4'	C3'	C2'	H2	155.5°	118.7°
C3'	C4'	C5'	H6	50.9°	55.0°
C3'	C4'	C5'	H7	170.6°	65.0°
C4'	C3'	O3'	H10	62.8°	176.1°
O5'	C5'	C4'	H6	120.1°	120.1°
O5'	C5'	C4'	H7	120.1°	120.0°
O5'	C5'	C4'	O4'	46.0°	69.6°
O5'	C5'	C4'	H4	167.2°	52.7°
O5'	C5'	H6	H7	119.7°	119.9°
C5'	O5'	P	OP3	71.5°	175.0°
C5'	C4'	O4'	H4	120.7°	122.3°
C5'	C4'	O4'	C1'	147.2°	159.4°
C5'	C4'	C3'	H3	43.3°	24.2°
C4'	C5'	H6	H7	119.7°	120.0°
O4	C41	C42	H13	121.7°	120.0°
C41	O4	C4	C5	4.7°	180.0°
C41	O4	C4	N3	175.5°	0.0°
O4	C41	C42	H14	61.3°	60.0°
O4	C41	C42	H15	178.8°	180.0°
O4	C41	C42	H16	58.8°	60.0°
O4	C41	C43	H17	180.0°	60.0°
O4	C41	C43	H18	60.0°	180.0°
O4	C41	C43	H19	60.0°	59.9°
C42	C41	O4	C4	128.4°	90.1°
C41	C42	H14	H15	120.0°	120.1°
C41	C42	H14	H16	120.0°	120.0°
C41	C42	H15	H16	120.0°	120.0°
C42	C41	C43	H17	59.6°	180.0°
C42	C41	C43	H18	179.6°	60.0°
C42	C41	C43	H19	60.3°	60.0°
O2'	C2'	C1'	H2	125.1°	122.6°
O2'	C2'	C1'	N1	146.3°	98.5°
O2'	C2'	C1'	O4'	93.7°	142.6°
O2'	C2'	C1'	H1	24.9°	23.8°
O2'	C2'	C3'	H3	168.2°	122.7°
C2'	C1'	O4'	C4'	1.1°	40.5°
C2'	C1'	N1	C6	107.6°	118.1°
C2'	C1'	N1	C2	76.7°	61.9°
C2'	C1'	N1	O4'	119.5°	115.5°
C2'	C1'	N1	H1	121.0°	122.3°
C2'	C1'	O4'	H1	117.6°	118.8°
C1'	C2'	C3'	H3	77.4°	118.6°
C1'	C2'	O2'	H9	70.1°	180.0°
O4	C4	C5	N3	179.8°	180.0°
O4	C4	C5	C6	179.9°	179.8°
O4	C4	N3	C2	179.2°	180.0°
O4	C4	C5	H5	0.1°	0.0°
C4	O4	C41	H13	7.6°	30.0°
C4	C5	C6	H5	180.0°	179.8°
C4	C5	C6	N1	1.0°	0.2°
C5	C4	N3	C2	1.0°	0.0°
C4	C5	C6	H8	179.0°	180.0°
C6	C5	C4	N3	0.3°	0.2°
C5	C6	N1	H8	180.0°	179.8°
C5	C6	N1	C2	2.2°	0.0°
C5	C6	N1	C1'	178.1°	180.0°
C4'	O4'	C1'	N1	124.7°	159.4°
C4'	O4'	C1'	H1	116.5°	78.3°
O4'	C4'	C3'	H3	75.7°	94.7°
O4'	C4'	C5'	H6	166.1°	170.4°
O4'	C4'	C5'	H7	74.1°	50.4°
C4	N3	C2	N1	2.3°	0.3°
C4	N3	C2	O2	179.9°	180.0°
N3	C4	C5	H5	179.7°	180.0°
C6	N1	C2	N3	2.8°	0.3°
C6	N1	C2	C1'	175.7°	179.9°
C6	N1	C2	O2	179.5°	180.0°
C6	N1	C1'	O4'	11.9°	126.5°
C6	N1	C1'	H1	131.3°	4.3°
N1	C6	C5	H5	179.0°	180.0°
N3	C2	N1	O2	177.7°	179.7°
N3	C2	N1	C1'	178.6°	179.8°
C2	N1	C1'	O4'	163.8°	53.6°
C2	N1	C1'	H1	44.4°	175.8°
C2	N1	C6	H8	177.8°	179.8°
C1'	N1	C2	O2	3.7°	0.0°
N1	C1'	O4'	H1	118.8°	122.2°
N1	C1'	C2'	H2	21.2°	24.1°
C1'	N1	C6	H8	1.9°	0.2°
O4'	C1'	C2'	H2	141.3°	94.8°
C1'	O4'	C4'	H4	92.0°	78.4°
H1	C1'	C2'	H2	100.2°	146.4°
H2	C2'	C3'	H3	41.2°	0.0°
H2	C2'	O2'	H9	54.0°	57.4°
H3	C3'	C4'	H4	166.7°	146.5°
H3	C3'	O3'	H10	57.9°	61.3°
H4	C4'	C5'	H6	72.6°	67.4°
H4	C4'	C5'	H7	47.1°	172.7°
H5	C5	C6	H8	1.0°	0.2°
H12	OP2	P	OP3	128.1°	60.0°
H13	C41	C42	H14	60.4°	180.0°
H13	C41	C42	H15	59.6°	59.9°
H13	C41	C42	H16	179.6°	60.0°
H13	C41	C43	H17	59.9°	60.0°
H13	C41	C43	H18	60.1°	59.9°
H13	C41	C43	H19	179.9°	180.0°
H14	C42	H15	H16	120.0°	120.0°
H17	C43	H18	H19	120.0°	120.0°

Release date:	2018-01-24
Definition date:	2017-09-25
Last modified:	2019-04-29
Release status:	REL
Processing site:	EBI
Derived from:	6EK0