KBD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C6	doub	1.22Å	1.25Å
N1	C6	sing	1.35Å	1.34Å
N1	C2	sing	1.36Å	1.35Å
C6	C5	sing	1.42Å	1.47Å
N2	C2	sing	1.37Å	1.35Å
C2	N3	doub	1.31Å	1.36Å
C5	N7	sing	1.35Å	1.34Å	Aromatic
C5	C4	doub	1.40Å	1.47Å	Aromatic
N7	C8	doub	1.30Å	1.35Å	Aromatic
N3	C4	sing	1.34Å	1.35Å
C4	N9	sing	1.37Å	1.32Å	Aromatic
C8	N9	sing	1.36Å	1.35Å	Aromatic
N9	C1'	sing	1.47Å	1.45Å
C1'	C2'	sing	1.55Å	1.53Å
C1'	O4'	sing	1.44Å	1.39Å
O2'	C2'	sing	1.43Å	1.41Å
C2'	C3'	sing	1.55Å	1.54Å
O4'	C4'	sing	1.44Å	1.44Å
C3'	C4'	sing	1.54Å	1.54Å
C3'	O3'	sing	1.43Å	1.43Å
C4'	C5'	sing	1.53Å	1.49Å
C5'	O5'	sing	1.45Å	1.41Å
C19	C20	doub	1.38Å	1.39Å	Aromatic
C19	C18	sing	1.38Å	1.39Å	Aromatic
C20	C15	sing	1.38Å	1.39Å	Aromatic
O5'	C1	sing	1.35Å	1.44Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
O2	C1	doub	1.22Å	1.22Å
C1	N4	sing	1.35Å	1.33Å
C15	C7	sing	1.51Å	1.51Å
C15	C16	doub	1.38Å	1.39Å	Aromatic
C7	N4	sing	1.46Å	1.46Å
C17	C16	sing	1.38Å	1.39Å	Aromatic
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C20	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
C18	H8	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
N2	H10	sing	0.97Å	1.00Å
N2	H11	sing	0.97Å	1.00Å
N4	H12	sing	0.97Å	1.00Å
C1'	H13	sing	1.09Å	1.10Å
C2'	H14	sing	1.09Å	1.10Å
C3'	H15	sing	1.09Å	1.10Å
C4'	H16	sing	1.09Å	1.10Å
C5'	H17	sing	1.09Å	1.10Å
C5'	H18	sing	1.09Å	1.10Å
O2'	H19	sing	0.97Å	0.95Å
O3'	H20	sing	0.97Å	0.95Å
N1	H21	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C6	N1	121.8°	120.8°
O6	C6	C5	121.0°	120.8°
C6	N1	C2	122.7°	120.4°
N1	C6	C5	117.2°	118.4°
C6	N1	H21	118.6°	119.8°
N1	C2	N2	116.8°	119.1°
N1	C2	N3	124.2°	121.8°
C2	N1	H21	118.7°	119.8°
C6	C5	N7	135.3°	134.2°
C6	C5	C4	116.9°	118.5°
N2	C2	N3	119.0°	119.1°
C2	N2	H10	120.0°	120.0°
C2	N2	H11	120.0°	120.0°
C2	N3	C4	118.1°	121.2°
N7	C5	C4	107.7°	107.3°
C5	N7	C8	106.6°	109.3°
C5	C4	N3	120.9°	119.7°
C5	C4	N9	105.3°	106.1°
N7	C8	N9	111.0°	109.8°
N7	C8	H4	124.5°	125.1°
N3	C4	N9	133.8°	134.2°
C4	N9	C8	109.4°	107.5°
C4	N9	C1'	125.5°	126.2°
C8	N9	C1'	125.0°	126.2°
N9	C8	H4	124.5°	125.1°
N9	C1'	C2'	112.5°	110.7°
N9	C1'	O4'	108.8°	110.6°
N9	C1'	H13	110.3°	110.7°
C2'	C1'	O4'	104.7°	103.5°
C1'	C2'	O2'	112.3°	110.9°
C1'	C2'	C3'	102.6°	102.1°
C2'	C1'	H13	109.3°	110.6°
C1'	C2'	H14	107.9°	110.9°
C1'	O4'	C4'	107.8°	107.0°
O4'	C1'	H13	111.2°	110.6°
O2'	C2'	C3'	116.3°	110.9°
O2'	C2'	H14	109.5°	110.9°
C2'	O2'	H19	109.5°	114.0°
C2'	C3'	C4'	103.6°	104.2°
C2'	C3'	O3'	112.6°	110.5°
C3'	C2'	H14	107.8°	110.9°
C2'	C3'	H15	109.5°	110.5°
O4'	C4'	C3'	106.5°	107.3°
O4'	C4'	C5'	109.4°	109.9°
O4'	C4'	H16	109.4°	110.0°
C4'	C3'	O3'	110.2°	110.4°
C3'	C4'	C5'	114.4°	109.9°
C4'	C3'	H15	109.6°	110.5°
C3'	C4'	H16	108.2°	109.8°
O3'	C3'	H15	111.0°	110.6°
C3'	O3'	H20	109.5°	113.9°
C4'	C5'	O5'	108.5°	109.5°
C5'	C4'	H16	108.8°	109.9°
C4'	C5'	H17	109.7°	109.5°
C4'	C5'	H18	109.7°	109.5°
C5'	O5'	C1	121.3°	117.0°
O5'	C5'	H17	109.7°	109.5°
O5'	C5'	H18	109.7°	109.4°
C20	C19	C18	119.9°	120.0°
C19	C20	C15	120.3°	120.0°
C19	C20	H6	119.9°	120.0°
C20	C19	H9	120.1°	120.0°
C19	C18	C17	120.1°	120.0°
C19	C18	H8	120.0°	119.9°
C18	C19	H9	120.0°	120.0°
C20	C15	C7	120.7°	120.0°
C20	C15	C16	119.7°	119.9°
C15	C20	H6	119.9°	120.0°
O5'	C1	O2	118.9°	120.0°
O5'	C1	N4	114.5°	120.0°
C18	C17	C16	120.0°	120.0°
C18	C17	H5	120.0°	120.0°
C17	C18	H8	120.0°	120.1°
O2	C1	N4	126.5°	120.0°
C1	N4	C7	120.8°	120.0°
C1	N4	H12	119.6°	120.1°
C7	C15	C16	119.6°	120.0°
C15	C7	N4	110.8°	109.5°
C15	C7	H2	109.1°	109.4°
C15	C7	H3	109.1°	109.5°
C15	C16	C17	120.2°	120.0°
C15	C16	H7	119.9°	119.9°
N4	C7	H2	109.2°	109.5°
N4	C7	H3	109.2°	109.5°
C7	N4	H12	119.6°	119.9°
C16	C17	H5	120.0°	120.0°
C17	C16	H7	119.9°	120.0°
H2	C7	H3	109.5°	109.5°
H10	N2	H11	120.0°	120.0°
H17	C5'	H18	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C6	N1	C5	178.9°	179.9°
O6	C6	N1	C2	179.4°	180.0°
O6	C6	C5	N7	1.1°	0.1°
O6	C6	C5	C4	179.1°	179.9°
O6	C6	N1	H21	0.6°	0.4°
C6	N1	C2	H21	180.0°	179.7°
C6	N1	C2	N2	179.8°	180.0°
C6	N1	C2	N3	1.0°	0.0°
N1	C6	C5	N7	179.9°	180.0°
N1	C6	C5	C4	0.2°	0.0°
C2	N1	C6	C5	0.5°	0.0°
N1	C2	N2	N3	179.2°	180.0°
N1	C2	N3	C4	1.1°	0.0°
N1	C2	N2	H10	179.2°	0.0°
N1	C2	N2	H11	0.8°	180.0°
C6	C5	N7	C4	179.8°	180.0°
C6	C5	N7	C8	179.9°	180.0°
C6	C5	C4	N3	0.3°	0.0°
C6	C5	C4	N9	179.5°	180.0°
C5	C6	N1	H21	179.5°	179.7°
N2	C2	N3	C4	179.7°	180.0°
C2	N2	H10	H11	180.0°	179.9°
N2	C2	N1	H21	0.2°	0.3°
C2	N3	C4	C5	0.8°	0.0°
C2	N3	C4	N9	179.1°	179.9°
N3	C2	N2	H10	0.0°	180.0°
N3	C2	N2	H11	180.0°	0.0°
N3	C2	N1	H21	179.0°	179.7°
N7	C5	C4	N3	179.8°	180.0°
N7	C5	C4	N9	0.3°	0.0°
C5	N7	C8	N9	0.5°	0.0°
C5	N7	C8	H4	179.5°	180.0°
C4	C5	N7	C8	0.1°	0.0°
C5	C4	N3	N9	179.8°	179.9°
C5	C4	N9	C8	0.6°	0.1°
C5	C4	N9	C1'	177.5°	180.0°
N7	C8	N9	C4	0.7°	0.1°
N7	C8	N9	H4	180.0°	180.0°
N7	C8	N9	C1'	177.6°	180.0°
N3	C4	N9	C8	179.6°	180.0°
N3	C4	N9	C1'	2.7°	0.1°
C4	N9	C8	C1'	176.9°	179.9°
C4	N9	C1'	C2'	126.6°	84.9°
C4	N9	C1'	O4'	117.8°	161.0°
C4	N9	C8	H4	179.3°	180.0°
C4	N9	C1'	H13	4.4°	38.1°
C8	N9	C1'	C2'	49.8°	95.0°
C8	N9	C1'	O4'	65.8°	19.1°
C8	N9	C1'	H13	172.0°	142.0°
N9	C1'	C2'	O4'	118.0°	118.5°
N9	C1'	C2'	H13	122.8°	123.0°
N9	C1'	O4'	H13	121.6°	122.9°
N9	C1'	C2'	O2'	80.7°	86.3°
N9	C1'	C2'	C3'	153.7°	155.5°
N9	C1'	O4'	C4'	159.9°	158.6°
C1'	N9	C8	H4	2.4°	0.0°
N9	C1'	C2'	H14	40.1°	37.3°
C2'	C1'	O4'	H13	117.8°	118.5°
C1'	C2'	O2'	C3'	117.7°	112.7°
C1'	C2'	O2'	H14	119.9°	123.6°
C1'	C2'	C3'	H14	113.8°	118.1°
C2'	C1'	O4'	C4'	39.3°	40.1°
C1'	C2'	C3'	C4'	18.9°	20.8°
C1'	C2'	C3'	O3'	100.2°	97.8°
C1'	C2'	C3'	H15	135.8°	139.5°
C1'	C2'	O2'	H19	180.0°	180.0°
O4'	C1'	C2'	O2'	161.3°	155.2°
O4'	C1'	C2'	C3'	35.7°	37.0°
C1'	O4'	C4'	C3'	26.6°	26.5°
C1'	O4'	C4'	C5'	150.7°	145.9°
O4'	C1'	C2'	H14	78.0°	81.2°
C1'	O4'	C4'	H16	90.2°	92.9°
O2'	C2'	C3'	H14	123.3°	123.7°
O2'	C2'	C3'	C4'	141.8°	139.0°
O2'	C2'	C3'	O3'	22.7°	20.4°
O2'	C2'	C1'	H13	42.1°	36.7°
O2'	C2'	C3'	H15	101.3°	102.3°
C2'	C3'	C4'	O4'	3.0°	2.1°
C2'	C3'	C4'	O3'	120.8°	118.6°
C2'	C3'	C4'	H15	116.8°	118.7°
C2'	C3'	O3'	H15	123.2°	122.7°
C2'	C3'	C4'	C5'	123.9°	121.5°
C3'	C2'	C1'	H13	83.5°	81.5°
C2'	C3'	C4'	H16	114.6°	117.5°
C3'	C2'	O2'	H19	62.3°	67.3°
C2'	C3'	O3'	H20	180.0°	61.5°
O4'	C4'	C3'	C5'	121.0°	119.4°
O4'	C4'	C3'	H16	117.6°	119.6°
O4'	C4'	C3'	O3'	123.7°	120.7°
O4'	C4'	C5'	H16	119.5°	121.2°
O4'	C4'	C5'	O5'	174.7°	67.2°
C4'	O4'	C1'	H13	78.5°	78.5°
O4'	C4'	C3'	H15	113.8°	116.6°
O4'	C4'	C5'	H17	54.9°	172.8°
O4'	C4'	C5'	H18	65.5°	52.8°
C4'	C3'	O3'	H15	121.6°	122.6°
C3'	C4'	C5'	H16	121.2°	121.0°
C3'	C4'	C5'	O5'	55.4°	175.0°
C4'	C3'	C2'	H14	94.8°	97.3°
C3'	C4'	C5'	H17	64.4°	55.0°
C3'	C4'	C5'	H18	175.2°	65.0°
C4'	C3'	O3'	H20	64.8°	176.2°
O3'	C3'	C4'	C5'	115.3°	119.9°
O3'	C3'	C2'	H14	146.1°	144.1°
O3'	C3'	C4'	H16	6.1°	1.1°
C4'	C5'	O5'	H17	119.8°	120.1°
C4'	C5'	O5'	H18	119.8°	120.0°
C4'	C5'	O5'	C1	167.3°	180.0°
C5'	C4'	C3'	H15	7.1°	2.8°
C4'	C5'	H17	H18	120.5°	120.0°
C5'	O5'	C1	O2	22.4°	0.0°
C5'	O5'	C1	N4	156.6°	180.0°
O5'	C5'	C4'	H16	65.8°	54.1°
O5'	C5'	H17	H18	120.5°	119.9°
C20	C19	C18	H9	180.0°	179.9°
C19	C20	C15	H6	180.0°	179.9°
C20	C19	C18	C17	0.2°	0.2°
C19	C20	C15	C7	179.9°	179.9°
C19	C20	C15	C16	0.1°	0.3°
C20	C19	C18	H8	179.8°	180.0°
C18	C19	C20	C15	0.0°	0.1°
C19	C18	C17	H8	180.0°	179.8°
C19	C18	C17	C16	0.3°	0.2°
C19	C18	C17	H5	179.7°	179.7°
C18	C19	C20	H6	180.0°	180.0°
C20	C15	C7	C16	179.8°	179.7°
C20	C15	C7	N4	77.2°	89.7°
C20	C15	C16	C17	0.3°	0.2°
C20	C15	C7	H2	43.0°	30.3°
C20	C15	C7	H3	162.6°	150.2°
C20	C15	C16	H7	179.8°	179.7°
C15	C20	C19	H9	180.0°	180.0°
O5'	C1	O2	N4	178.9°	180.0°
O5'	C1	N4	C7	9.3°	180.0°
O5'	C1	N4	H12	170.7°	0.0°
C1	O5'	C5'	H17	47.4°	59.9°
C1	O5'	C5'	H18	72.9°	60.0°
C18	C17	C16	C15	0.4°	0.0°
C18	C17	C16	H5	180.0°	180.0°
C18	C17	C16	H7	179.6°	180.0°
C17	C18	C19	H9	179.9°	179.8°
O2	C1	N4	C7	169.6°	0.0°
O2	C1	N4	H12	10.4°	180.0°
C1	N4	C7	C15	106.7°	180.0°
C1	N4	C7	H12	180.0°	180.0°
C1	N4	C7	H2	13.5°	60.0°
C1	N4	C7	H3	133.1°	60.0°
C15	C7	N4	H2	120.2°	119.9°
C15	C7	N4	H3	120.2°	120.0°
C7	C15	C16	C17	180.0°	180.0°
C15	C7	H2	H3	119.4°	120.0°
C7	C15	C20	H6	0.1°	0.0°
C7	C15	C16	H7	0.0°	0.0°
C15	C7	N4	H12	73.3°	0.0°
C16	C15	C7	N4	103.1°	90.0°
C15	C16	C17	H7	180.0°	180.0°
C16	C15	C7	H2	136.7°	150.0°
C16	C15	C7	H3	17.2°	30.0°
C15	C16	C17	H5	179.7°	179.9°
C16	C15	C20	H6	179.9°	179.8°
N4	C7	H2	H3	119.4°	120.0°
C16	C17	C18	H8	179.7°	180.0°
H2	C7	N4	H12	166.5°	119.9°
H3	C7	N4	H12	46.9°	120.0°
H5	C17	C16	H7	0.3°	0.0°
H5	C17	C18	H8	0.3°	0.1°
H6	C20	C19	H9	0.0°	0.1°
H8	C18	C19	H9	0.1°	0.0°
H13	C1'	C2'	H14	162.9°	160.3°
H14	C2'	C3'	H15	22.0°	21.4°
H14	C2'	O2'	H19	60.1°	56.4°
H15	C3'	C4'	H16	128.6°	123.8°
H15	C3'	O3'	H20	56.8°	61.2°
H16	C4'	C5'	H17	174.4°	66.0°
H16	C4'	C5'	H18	54.0°	174.0°

Release date:	2019-09-18
Definition date:	2018-11-19
Last modified:	2019-09-13
Release status:	REL
Processing site:	RCSB
Derived from:	6N3X