D4B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	doub	1.22Å	1.22Å
O3'	C3'	sing	1.43Å	1.39Å
C2	N1	sing	1.33Å	1.40Å
C2	N3	sing	1.34Å	1.45Å
N1	C6	doub	1.33Å	1.34Å
C1'	C2'	sing	1.55Å	1.57Å
C1'	N3	sing	1.47Å	1.54Å
C1'	O	sing	1.44Å	1.40Å
C2'	C3'	sing	1.55Å	1.53Å
N3	C4	sing	1.36Å	1.34Å
C3'	C4'	sing	1.54Å	1.57Å
C6	N6	sing	1.37Å	1.38Å
C6	C5	sing	1.47Å	1.43Å
O	C4'	sing	1.44Å	1.43Å
C4'	C5'	sing	1.53Å	1.57Å
C4	C5	doub	1.38Å	1.40Å
C5	C7	sing	1.43Å	1.39Å
C5'	O1	sing	1.43Å	1.35Å
C7	C8	trip	1.17Å	1.18Å
O1	P	sing	1.61Å	1.80Å
C8	C9	sing	1.43Å	1.40Å
C9	C12	doub	1.40Å	1.39Å	Aromatic
C9	C10	sing	1.40Å	1.41Å	Aromatic
P	OP2	sing	1.61Å	1.54Å
P	OP1	doub	1.48Å	1.51Å
C12	C13	sing	1.37Å	1.39Å	Aromatic
C10	C11	doub	1.37Å	1.38Å	Aromatic
C13	C14	doub	1.40Å	1.40Å	Aromatic
C11	C14	sing	1.40Å	1.40Å	Aromatic
C14	C15	sing	1.43Å	1.41Å
C15	C16	trip	1.17Å	1.18Å
C1'	H1'	sing	1.09Å	1.10Å
C10	H2	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C13	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.05Å	1.06Å
C2'	H2'A	sing	1.09Å	1.10Å
C2'	H2'B	sing	1.09Å	1.10Å
C3'	H3'	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C4'	H4'	sing	1.09Å	1.10Å
C5'	H5'B	sing	1.09Å	1.10Å
C5'	H5'A	sing	1.09Å	1.10Å
N6	HN2	sing	0.97Å	1.00Å
N6	HN1	sing	0.97Å	1.00Å
O3'	H3	sing	0.97Å	0.95Å
OP2	HP2	sing	0.97Å	0.95Å
P	OP3	sing	1.61Å	1.60Å
OP3	HP3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C2	N1	120.1°	118.9°
O2	C2	N3	119.1°	118.9°
O3'	C3'	C2'	113.0°	110.5°
O3'	C3'	C4'	112.0°	110.5°
O3'	C3'	H3'	111.4°	110.6°
C3'	O3'	H3	109.5°	114.1°
N1	C2	N3	120.8°	122.2°
C2	N1	C6	117.3°	121.0°
C2	N3	C1'	120.6°	119.4°
C2	N3	C4	119.4°	121.2°
N1	C6	N6	115.7°	120.7°
N1	C6	C5	123.9°	118.8°
C2'	C1'	N3	110.0°	110.4°
C2'	C1'	O	104.1°	104.8°
C1'	C2'	C3'	99.3°	104.1°
C2'	C1'	H1'	111.1°	110.4°
C1'	C2'	H2'A	111.9°	110.5°
C1'	C2'	H2'B	111.9°	110.5°
N3	C1'	O	105.7°	110.4°
C1'	N3	C4	120.1°	119.4°
N3	C1'	H1'	111.6°	110.5°
C1'	O	C4'	107.9°	105.3°
O	C1'	H1'	113.9°	110.4°
C2'	C3'	C4'	101.7°	104.1°
C3'	C2'	H2'A	111.9°	110.5°
C3'	C2'	H2'B	111.9°	110.5°
C2'	C3'	H3'	109.4°	110.5°
N3	C4	C5	121.2°	118.8°
N3	C4	H4	119.4°	120.6°
C3'	C4'	O	107.7°	104.8°
C3'	C4'	C5'	106.4°	110.4°
C4'	C3'	H3'	108.9°	110.5°
C3'	C4'	H4'	109.5°	110.4°
N6	C6	C5	120.3°	120.5°
C6	N6	HN2	120.0°	120.0°
C6	N6	HN1	120.0°	120.0°
C6	C5	C4	117.4°	118.0°
C6	C5	C7	122.5°	121.0°
O	C4'	C5'	112.1°	110.4°
O	C4'	H4'	111.5°	110.4°
C4'	C5'	O1	111.8°	109.5°
C5'	C4'	H4'	109.5°	110.4°
C4'	C5'	H5'B	108.9°	109.5°
C4'	C5'	H5'A	108.9°	109.5°
C4	C5	C7	120.1°	121.0°
C5	C4	H4	119.4°	120.6°
C5	C7	C8	179.0°	180.0°
C5'	O1	P	121.3°	123.0°
O1	C5'	H5'B	108.9°	109.4°
O1	C5'	H5'A	108.9°	109.4°
C7	C8	C9	175.8°	180.0°
O1	P	OP2	96.4°	109.5°
O1	P	OP1	102.6°	109.4°
O1	P	OP3	103.5°	109.5°
C8	C9	C12	122.1°	120.0°
C8	C9	C10	117.3°	120.0°
C12	C9	C10	120.5°	120.0°
C9	C12	C13	119.4°	120.0°
C9	C12	H14	120.3°	120.0°
C9	C10	C11	119.6°	119.9°
C9	C10	H2	120.2°	120.0°
OP2	P	OP1	112.7°	109.5°
P	OP2	HP2	109.5°	114.0°
OP2	P	OP3	109.2°	109.5°
OP1	P	OP3	127.0°	109.5°
C12	C13	C14	120.2°	120.0°
C13	C12	H14	120.3°	120.0°
C12	C13	H15	119.9°	120.0°
C10	C11	C14	120.3°	120.1°
C11	C10	H2	120.2°	120.1°
C10	C11	H11	119.9°	119.9°
C13	C14	C11	119.9°	120.0°
C13	C14	C15	123.8°	120.0°
C14	C13	H15	119.8°	120.0°
C11	C14	C15	116.3°	120.0°
C14	C11	H11	119.9°	120.0°
C14	C15	C16	173.2°	180.0°
C15	C16	H16	180.0°	179.9°
H2'A	C2'	H2'B	109.5°	110.6°
H5'B	C5'	H5'A	109.5°	109.5°
HN2	N6	HN1	120.0°	120.0°
P	OP3	HP3	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	N1	N3	179.3°	179.7°
O2	C2	N1	C6	178.8°	179.7°
O2	C2	N3	C1'	1.5°	0.3°
O2	C2	N3	C4	178.3°	179.7°
O3'	C3'	C2'	C1'	86.8°	118.7°
O3'	C3'	C2'	C4'	120.3°	118.7°
O3'	C3'	C2'	H3'	124.8°	122.7°
O3'	C3'	C4'	H3'	123.7°	122.7°
O3'	C3'	C4'	O	106.6°	142.6°
O3'	C3'	C4'	C5'	133.1°	98.6°
O3'	C3'	C2'	H2'A	31.5°	0.0°
O3'	C3'	C2'	H2'B	154.9°	122.7°
O3'	C3'	C4'	H4'	14.9°	23.8°
N1	C2	N3	C1'	179.3°	180.0°
N1	C2	N3	C4	0.9°	0.0°
C2	N1	C6	N6	178.5°	180.0°
C2	N1	C6	C5	0.5°	0.0°
N3	C2	N1	C6	0.5°	0.0°
C2	N3	C1'	C2'	136.6°	65.0°
C2	N3	C1'	C4	179.8°	180.0°
C2	N3	C1'	O	111.7°	50.3°
C2	N3	C4	C5	0.4°	0.0°
C2	N3	C1'	H1'	12.7°	172.7°
C2	N3	C4	H4	179.6°	180.0°
N1	C6	N6	C5	179.1°	180.0°
N1	C6	C5	C4	1.1°	0.0°
N1	C6	C5	C7	177.1°	180.0°
N1	C6	N6	HN2	0.0°	179.9°
N1	C6	N6	HN1	180.0°	0.0°
C2'	C1'	N3	O	111.8°	115.3°
C2'	C1'	N3	H1'	123.8°	122.3°
C2'	C1'	O	H1'	121.2°	118.8°
C1'	C2'	C3'	H2'A	118.3°	118.6°
C1'	C2'	C3'	H2'B	118.3°	118.7°
C2'	C1'	N3	C4	43.6°	115.0°
C1'	C2'	C3'	C4'	33.5°	0.0°
C2'	C1'	O	C4'	36.8°	40.5°
C1'	C2'	H2'A	H2'B	124.7°	122.7°
C1'	C2'	C3'	H3'	148.4°	118.6°
N3	C1'	O	H1'	123.0°	122.4°
N3	C1'	C2'	C3'	157.2°	142.8°
N3	C1'	O	C4'	152.7°	159.3°
C1'	N3	C4	C5	179.8°	180.0°
N3	C1'	C2'	H2'A	84.5°	98.6°
N3	C1'	C2'	H2'B	38.9°	24.1°
C1'	N3	C4	H4	0.2°	0.0°
O	C1'	C2'	C3'	44.4°	24.0°
O	C1'	N3	C4	68.1°	129.7°
C1'	O	C4'	C3'	14.4°	40.5°
C1'	O	C4'	C5'	131.1°	159.4°
O	C1'	C2'	H2'A	162.7°	142.6°
O	C1'	C2'	H2'B	74.0°	94.7°
C1'	O	C4'	H4'	105.8°	78.3°
C2'	C3'	C4'	H3'	115.4°	118.6°
C2'	C3'	C4'	O	14.3°	24.0°
C2'	C3'	C4'	C5'	106.0°	142.8°
C3'	C2'	C1'	H1'	78.7°	94.8°
C3'	C2'	H2'A	H2'B	124.7°	122.7°
C2'	C3'	C4'	H4'	135.8°	94.9°
C2'	C3'	O3'	H3	180.0°	61.4°
N3	C4	C5	C6	0.6°	0.0°
N3	C4	C5	H4	180.0°	180.0°
N3	C4	C5	C7	177.7°	180.0°
C4	N3	C1'	H1'	167.5°	7.3°
C3'	C4'	O	C5'	116.7°	118.8°
C3'	C4'	O	H4'	120.2°	118.9°
C3'	C4'	C5'	H4'	118.3°	122.3°
C3'	C4'	C5'	O1	59.1°	178.2°
C4'	C3'	C2'	H2'A	151.8°	118.6°
C4'	C3'	C2'	H2'B	84.9°	118.7°
C3'	C4'	C5'	H5'B	179.4°	58.2°
C3'	C4'	C5'	H5'A	61.3°	61.9°
C4'	C3'	O3'	H3	65.9°	176.1°
N6	C6	C5	C4	178.0°	180.0°
N6	C6	C5	C7	3.8°	0.0°
C6	N6	HN2	HN1	180.0°	179.9°
C6	C5	C4	C7	178.3°	180.0°
C6	C5	C7	C8	45.2°	154.5°
C6	C5	C4	H4	179.4°	180.0°
C5	C6	N6	HN2	179.1°	0.1°
C5	C6	N6	HN1	0.9°	180.0°
O	C4'	C5'	H4'	124.2°	122.3°
O	C4'	C5'	O1	58.4°	66.5°
C4'	O	C1'	H1'	84.3°	78.3°
O	C4'	C3'	H3'	129.7°	94.6°
O	C4'	C5'	H5'B	61.9°	173.5°
O	C4'	C5'	H5'A	178.8°	53.5°
C4'	C5'	O1	H5'B	120.3°	120.0°
C4'	C5'	O1	H5'A	120.3°	120.0°
C4'	C5'	O1	P	174.9°	180.0°
C5'	C4'	C3'	H3'	9.4°	24.2°
C4'	C5'	H5'B	H5'A	118.9°	120.0°
C4	C5	C7	C8	133.0°	25.5°
C5	C7	C8	C9	60.7°	112.9°
C7	C5	C4	H4	2.3°	0.0°
C5'	O1	P	OP2	50.7°	175.0°
C5'	O1	P	OP1	165.7°	55.0°
O1	C5'	C4'	H4'	177.3°	55.9°
O1	C5'	H5'B	H5'A	119.0°	119.9°
C5'	O1	P	OP3	60.8°	65.0°
C7	C8	C9	C12	164.9°	92.6°
C7	C8	C9	C10	13.4°	87.4°
O1	P	OP2	OP1	106.5°	120.0°
O1	P	OP2	OP3	106.7°	120.0°
O1	P	OP1	OP3	117.9°	120.0°
P	O1	C5'	H5'B	54.6°	60.0°
P	O1	C5'	H5'A	64.8°	60.0°
O1	P	OP2	HP2	106.5°	180.0°
O1	P	OP3	HP3	117.5°	60.0°
C8	C9	C12	C10	178.3°	179.9°
C8	C9	C12	C13	177.7°	179.5°
C8	C9	C10	C11	177.7°	179.9°
C8	C9	C10	H2	2.2°	0.2°
C8	C9	C12	H14	2.3°	0.3°
C9	C12	C13	H14	180.0°	179.1°
C12	C9	C10	C11	0.6°	0.0°
C9	C12	C13	C14	0.1°	0.9°
C12	C9	C10	H2	179.4°	179.7°
C9	C12	C13	H15	179.9°	179.2°
C10	C9	C12	C13	0.6°	0.6°
C9	C10	C11	H2	180.0°	179.7°
C9	C10	C11	C14	0.0°	0.3°
C9	C10	C11	H11	180.0°	179.8°
C10	C9	C12	H14	179.4°	179.8°
OP2	P	OP1	OP3	139.6°	120.0°
OP2	P	OP3	HP3	140.7°	60.0°
OP1	P	OP2	HP2	0.0°	60.0°
OP1	P	OP3	HP3	0.0°	180.0°
C12	C13	C14	H15	180.0°	179.9°
C12	C13	C14	C11	0.7°	0.6°
C12	C13	C14	C15	178.2°	179.4°
C10	C11	C14	C13	0.7°	0.0°
C10	C11	C14	H11	180.0°	179.9°
C10	C11	C14	C15	178.4°	180.0°
C13	C14	C11	C15	179.0°	180.0°
C13	C14	C15	C16	0.8°	17.9°
C13	C14	C11	H11	179.3°	179.9°
C14	C13	C12	H14	179.9°	180.0°
C11	C14	C15	C16	178.2°	162.1°
C14	C11	C10	H2	180.0°	180.0°
C11	C14	C13	H15	179.3°	179.5°
C15	C14	C11	H11	1.6°	0.1°
C15	C14	C13	H15	1.8°	0.5°
C14	C15	C16	H16	48.8°	18.7°
H1'	C1'	C2'	H2'A	39.7°	23.8°
H1'	C1'	C2'	H2'B	163.0°	146.5°
H2	C10	C11	H11	0.0°	0.1°
H14	C12	C13	H15	0.1°	0.1°
H2'A	C2'	C3'	H3'	93.3°	122.7°
H2'B	C2'	C3'	H3'	30.1°	0.0°
H3'	C3'	C4'	H4'	108.9°	146.5°
H3'	C3'	O3'	H3	56.4°	61.2°
H4'	C4'	C5'	H5'B	62.3°	64.1°
H4'	C4'	C5'	H5'A	57.0°	175.8°
HP2	OP2	P	OP3	146.7°	60.0°

Release date:	2018-09-26
Definition date:	2017-12-19
Last modified:	2018-09-21
Release status:	REL
Processing site:	EBI
Derived from:	6FBF