BQO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.25Å
C	CA	sing	1.51Å	1.52Å
N	CA	sing	1.47Å	1.44Å
CA	CB	sing	1.53Å	1.52Å
O4	C4	doub	1.22Å	1.18Å
CB	CG2	sing	1.53Å	1.52Å
CB	OP1	sing	1.43Å	1.39Å
C4	C5	sing	1.42Å	1.36Å
C4	N3	sing	1.35Å	1.32Å
C5	C6	doub	1.35Å	1.35Å
OP1	P	sing	1.61Å	1.64Å
OP2	P	doub	1.48Å	1.46Å
N3	C2	sing	1.35Å	1.35Å
C6	N1	sing	1.37Å	1.32Å
P	OP3	sing	1.61Å	1.64Å
P	O5'	sing	1.61Å	1.64Å
C2	N1	sing	1.35Å	1.35Å
C2	O2	doub	1.22Å	1.18Å
N1	C1'	sing	1.47Å	1.41Å
O4'	C1'	sing	1.44Å	1.47Å
O4'	C3	sing	1.44Å	1.47Å
C1	O5'	sing	1.43Å	1.39Å
C1	C3	sing	1.53Å	1.48Å
C1'	C2'	sing	1.55Å	1.48Å
C3	C3'	sing	1.54Å	1.48Å
C2'	C3'	sing	1.55Å	1.46Å
C2'	O1	sing	1.43Å	1.43Å
C3'	O3'	sing	1.43Å	1.44Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
O1	H3	sing	0.97Å	0.95Å
N	H4	sing	1.01Å	1.00Å
N	H5	sing	1.01Å	1.00Å
CA	H7	sing	1.09Å	1.10Å
C	H8	sing	1.08Å	1.08Å
CB	H9	sing	1.09Å	1.10Å
CG2	H10	sing	1.09Å	1.10Å
CG2	H11	sing	1.09Å	1.10Å
CG2	H12	sing	1.09Å	1.10Å
C1'	H13	sing	1.09Å	1.10Å
C2'	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C3'	H16	sing	1.09Å	1.10Å
C5	H17	sing	1.08Å	1.08Å
C6	H18	sing	1.08Å	1.08Å
N3	H19	sing	0.97Å	1.00Å
O3'	H20	sing	0.97Å	0.95Å
OP3	H21	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	119.3°	120.0°
O	C	H8	120.4°	120.0°
C	CA	N	109.2°	109.5°
C	CA	CB	110.2°	109.5°
C	CA	H7	108.6°	109.4°
CA	C	H8	120.3°	120.0°
N	CA	CB	110.5°	109.5°
CA	N	H4	109.5°	111.0°
CA	N	H5	109.4°	111.0°
N	CA	H7	109.6°	109.4°
CA	CB	CG2	107.6°	109.5°
CA	CB	OP1	107.5°	109.5°
CB	CA	H7	108.7°	109.4°
CA	CB	H9	110.2°	109.5°
O4	C4	C5	120.0°	120.3°
O4	C4	N3	119.6°	120.3°
CG2	CB	OP1	109.2°	109.4°
CG2	CB	H9	110.1°	109.5°
CB	CG2	H10	109.5°	109.5°
CB	CG2	H11	109.5°	109.4°
CB	CG2	H12	109.5°	109.5°
CB	OP1	P	111.4°	123.0°
OP1	CB	H9	112.1°	109.4°
C5	C4	N3	120.4°	119.4°
C4	C5	C6	119.6°	119.1°
C4	C5	H17	120.2°	120.5°
C4	N3	C2	119.9°	120.2°
C4	N3	H19	120.1°	119.9°
C5	C6	N1	119.6°	119.7°
C6	C5	H17	120.2°	120.4°
C5	C6	H18	120.2°	120.2°
OP1	P	OP2	110.7°	109.5°
OP1	P	OP3	109.4°	109.5°
OP1	P	O5'	107.9°	109.5°
OP2	P	OP3	109.6°	109.5°
OP2	P	O5'	110.3°	109.4°
N3	C2	N1	119.5°	121.0°
N3	C2	O2	120.7°	119.5°
C2	N3	H19	120.0°	119.9°
C6	N1	C2	121.0°	120.6°
C6	N1	C1'	120.1°	119.7°
N1	C6	H18	120.2°	120.1°
OP3	P	O5'	108.9°	109.5°
P	OP3	H21	109.5°	114.0°
P	O5'	C1	107.7°	123.0°
N1	C2	O2	119.7°	119.6°
C2	N1	C1'	119.0°	119.7°
N1	C1'	O4'	109.7°	110.7°
N1	C1'	C2'	106.9°	110.6°
N1	C1'	H13	111.2°	110.5°
C1'	O4'	C3	106.9°	107.0°
O4'	C1'	C2'	108.6°	103.5°
O4'	C1'	H13	110.2°	110.7°
O4'	C3	C1	110.1°	109.9°
O4'	C3	C3'	106.8°	107.3°
O4'	C3	H15	111.3°	110.0°
O5'	C1	C3	107.1°	109.5°
O5'	C1	H1	110.1°	109.5°
O5'	C1	H2	110.1°	109.5°
C1	C3	C3'	106.3°	109.9°
C3	C1	H1	110.1°	109.5°
C3	C1	H2	110.1°	109.5°
C1	C3	H15	111.1°	109.8°
C1'	C2'	C3'	106.3°	102.0°
C1'	C2'	O1	109.6°	110.9°
C2'	C1'	H13	110.1°	110.6°
C1'	C2'	H14	110.0°	110.9°
C3	C3'	C2'	108.1°	104.2°
C3	C3'	O3'	111.2°	110.5°
C3'	C3	H15	111.1°	109.9°
C3	C3'	H16	108.7°	110.5°
C3'	C2'	O1	109.9°	110.9°
C2'	C3'	O3'	110.6°	110.5°
C3'	C2'	H14	110.3°	110.9°
C2'	C3'	H16	108.9°	110.4°
C2'	O1	H3	109.5°	114.0°
O1	C2'	H14	110.7°	110.8°
O3'	C3'	H16	109.3°	110.6°
C3'	O3'	H20	109.5°	114.0°
H1	C1	H2	109.5°	109.4°
H4	N	H5	109.4°	111.0°
H10	CG2	H11	109.5°	109.5°
H10	CG2	H12	109.5°	109.5°
H11	CG2	H12	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	H8	180.0°	180.0°
O	C	CA	N	60.8°	0.1°
O	C	CA	CB	60.8°	120.0°
O	C	CA	H7	179.7°	120.0°
C	CA	N	CB	121.4°	120.1°
C	CA	N	H7	118.9°	120.0°
C	CA	CB	H7	118.9°	120.0°
C	CA	CB	CG2	56.5°	175.0°
C	CA	CB	OP1	174.0°	55.0°
C	CA	N	H4	180.0°	63.9°
C	CA	N	H5	60.0°	60.0°
C	CA	CB	H9	63.5°	64.9°
N	CA	CB	H7	120.3°	120.0°
N	CA	CB	CG2	177.3°	54.9°
N	CA	CB	OP1	65.2°	65.0°
CA	N	H4	H5	120.0°	123.9°
N	CA	C	H8	119.2°	180.0°
N	CA	CB	H9	57.3°	175.0°
CA	CB	CG2	OP1	116.4°	120.0°
CA	CB	CG2	H9	120.1°	120.1°
CA	CB	OP1	H9	121.2°	120.0°
CA	CB	OP1	P	151.0°	120.0°
CB	CA	N	H4	58.6°	176.0°
CB	CA	N	H5	178.6°	60.0°
CB	CA	C	H8	119.2°	60.0°
CA	CB	CG2	H10	180.0°	180.0°
CA	CB	CG2	H11	60.0°	60.0°
CA	CB	CG2	H12	60.0°	59.9°
O4	C4	C5	N3	179.8°	179.7°
O4	C4	C5	C6	179.9°	180.0°
O4	C4	N3	C2	179.9°	180.0°
O4	C4	C5	H17	0.1°	0.2°
O4	C4	N3	H19	0.1°	0.3°
CG2	CB	OP1	H9	122.3°	120.0°
CG2	CB	OP1	P	92.5°	120.0°
CG2	CB	CA	H7	62.4°	65.0°
CB	CG2	H10	H11	120.0°	120.0°
CB	CG2	H10	H12	120.0°	120.0°
CB	CG2	H11	H12	120.0°	120.0°
CB	OP1	P	OP2	2.9°	55.1°
CB	OP1	P	OP3	123.7°	65.0°
CB	OP1	P	O5'	117.9°	175.0°
OP1	CB	CA	H7	55.1°	175.0°
OP1	CB	CG2	H10	63.6°	60.0°
OP1	CB	CG2	H11	176.4°	180.0°
OP1	CB	CG2	H12	56.4°	60.1°
C4	C5	C6	H17	180.0°	179.8°
C5	C4	N3	C2	0.1°	0.3°
C4	C5	C6	N1	0.1°	0.0°
C4	C5	C6	H18	179.9°	180.0°
C5	C4	N3	H19	179.9°	180.0°
N3	C4	C5	C6	0.3°	0.3°
C4	N3	C2	H19	180.0°	179.7°
C4	N3	C2	N1	0.1°	0.0°
C4	N3	C2	O2	180.0°	179.9°
N3	C4	C5	H17	179.7°	179.9°
C5	C6	N1	H18	180.0°	180.0°
C5	C6	N1	C2	0.2°	0.4°
C5	C6	N1	C1'	179.6°	179.9°
OP1	P	OP2	OP3	120.8°	120.0°
OP1	P	OP2	O5'	119.3°	120.0°
OP1	P	OP3	O5'	117.7°	120.0°
OP1	P	O5'	C1	101.8°	175.0°
P	OP1	CB	H9	29.8°	0.0°
OP1	P	OP3	H21	121.6°	60.1°
OP2	P	OP3	O5'	120.7°	120.0°
OP2	P	O5'	C1	19.2°	55.1°
OP2	P	OP3	H21	0.0°	179.9°
N3	C2	N1	C6	0.3°	0.3°
N3	C2	N1	O2	179.8°	179.9°
N3	C2	N1	C1'	179.8°	179.9°
C6	N1	C2	C1'	179.5°	179.6°
C6	N1	C2	O2	179.9°	179.7°
C6	N1	C1'	O4'	44.7°	48.7°
C6	N1	C1'	C2'	72.9°	65.4°
C6	N1	C1'	H13	166.9°	171.8°
N1	C6	C5	H17	179.9°	179.7°
OP3	P	O5'	C1	139.5°	65.0°
P	O5'	C1	C3	104.1°	180.0°
P	O5'	C1	H1	15.6°	60.0°
P	O5'	C1	H2	136.3°	59.9°
O5'	P	OP3	H21	120.7°	59.9°
C2	N1	C1'	O4'	135.9°	130.9°
C2	N1	C1'	C2'	106.6°	115.1°
C2	N1	C1'	H13	13.6°	7.8°
C2	N1	C6	H18	179.8°	179.7°
N1	C2	N3	H19	179.8°	179.7°
O2	C2	N1	C1'	0.4°	0.2°
O2	C2	N3	H19	0.0°	0.2°
N1	C1'	O4'	C2'	116.5°	118.5°
N1	C1'	O4'	H13	122.8°	122.9°
N1	C1'	O4'	C3	126.3°	158.5°
N1	C1'	C2'	H13	120.9°	122.8°
N1	C1'	C2'	C3'	116.8°	155.5°
N1	C1'	C2'	O1	124.5°	86.3°
N1	C1'	C2'	H14	2.6°	37.4°
C1'	N1	C6	H18	0.4°	0.1°
C1'	O4'	C3	C1	132.2°	146.0°
O4'	C1'	C2'	H13	120.8°	118.7°
C1'	O4'	C3	C3'	17.3°	26.5°
O4'	C1'	C2'	C3'	1.5°	37.0°
O4'	C1'	C2'	O1	117.2°	155.2°
O4'	C1'	C2'	H14	120.9°	81.2°
C1'	O4'	C3	H15	104.2°	93.0°
O4'	C3	C1	O5'	109.8°	67.1°
O4'	C3	C1	C3'	115.3°	117.9°
O4'	C3	C1	H15	123.7°	121.1°
C3	O4'	C1'	C2'	9.9°	40.0°
O4'	C3	C3'	H15	121.5°	119.6°
O4'	C3	C3'	C2'	18.5°	2.0°
O4'	C3	C3'	O3'	140.1°	120.7°
O4'	C3	C1	H1	9.9°	172.9°
O4'	C3	C1	H2	130.6°	52.9°
C3	O4'	C1'	H13	110.9°	78.6°
O4'	C3	C3'	H16	99.6°	116.6°
O5'	C1	C3	H1	119.6°	120.0°
O5'	C1	C3	H2	119.6°	120.0°
O5'	C1	C3	C3'	135.0°	175.0°
O5'	C1	H1	H2	121.1°	120.0°
O5'	C1	C3	H15	14.0°	54.0°
C1	C3	C3'	H15	121.0°	121.0°
C1	C3	C3'	C2'	136.0°	121.5°
C1	C3	C3'	O3'	102.5°	119.9°
C3	C1	H1	H2	121.1°	120.0°
C1	C3	C3'	H16	17.9°	2.8°
C1'	C2'	C3'	C3	12.2°	20.9°
C1'	C2'	C3'	O1	118.6°	118.2°
C1'	C2'	C3'	H14	119.2°	118.2°
C1'	C2'	O1	H14	121.5°	123.7°
C1'	C2'	C3'	O3'	134.2°	97.8°
C1'	C2'	O1	H3	180.0°	180.0°
C1'	C2'	C3'	H16	105.7°	139.6°
C3	C3'	C2'	O3'	121.9°	118.7°
C3	C3'	C2'	H16	118.0°	118.7°
C3	C3'	C2'	O1	106.3°	139.1°
C3	C3'	O3'	H16	120.0°	122.7°
C3'	C3	C1	H1	105.4°	55.0°
C3'	C3	C1	H2	15.3°	65.0°
C3	C3'	C2'	H14	131.4°	97.3°
C3	C3'	O3'	H20	180.0°	176.2°
C3'	C2'	O1	H14	122.0°	123.7°
C2'	C3'	O3'	H16	119.9°	122.5°
C3'	C2'	O1	H3	63.5°	67.3°
C3'	C2'	C1'	H13	122.3°	81.7°
C2'	C3'	C3	H15	103.1°	117.6°
C2'	C3'	O3'	H20	59.9°	61.5°
O1	C2'	C3'	O3'	15.6°	20.4°
O1	C2'	C1'	H13	3.6°	36.5°
O1	C2'	C3'	H16	135.7°	102.2°
O3'	C3'	C2'	H14	106.7°	144.0°
O3'	C3'	C3	H15	18.5°	1.1°
H1	C1	C3	H15	133.6°	66.0°
H2	C1	C3	H15	105.7°	174.0°
H3	O1	C2'	H14	58.5°	56.3°
H4	N	CA	H7	61.1°	56.1°
H5	N	CA	H7	58.9°	180.0°
H7	CA	C	H8	0.3°	60.0°
H7	CA	CB	H9	177.5°	55.0°
H9	CB	CG2	H10	59.9°	60.0°
H9	CB	CG2	H11	60.1°	60.1°
H9	CB	CG2	H12	179.9°	180.0°
H10	CG2	H11	H12	120.0°	120.0°
H13	C1'	C2'	H14	118.3°	160.2°
H14	C2'	C3'	H16	13.4°	21.4°
H15	C3	C3'	H16	138.9°	123.8°
H16	C3'	O3'	H20	60.0°	61.1°
H17	C5	C6	H18	0.1°	0.2°

Release date:	2019-03-20
Definition date:	2019-03-04
Last modified:	2019-03-15
Release status:	REL
Processing site:	PDBJ
Derived from:	6J5V