KBJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C6	doub	1.22Å	1.26Å
C6	N1	sing	1.35Å	1.34Å
C6	C5	sing	1.41Å	1.47Å
N1	C2	sing	1.36Å	1.34Å
N2	C2	sing	1.37Å	1.35Å
C2	N3	doub	1.31Å	1.36Å
C5	N7	sing	1.36Å	1.34Å	Aromatic
C5	C4	doub	1.40Å	1.47Å	Aromatic
N7	C8	doub	1.30Å	1.36Å	Aromatic
N3	C4	sing	1.34Å	1.35Å
C4	N9	sing	1.37Å	1.32Å	Aromatic
C8	N9	sing	1.37Å	1.35Å	Aromatic
N9	C1'	sing	1.47Å	1.46Å
C1'	C2'	sing	1.55Å	1.53Å
C1'	O4'	sing	1.44Å	1.40Å
O2'	C2'	sing	1.43Å	1.42Å
C2'	C3'	sing	1.55Å	1.53Å
O4'	C4'	sing	1.44Å	1.44Å
C12	C11	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C3'	C4'	sing	1.54Å	1.54Å
C3'	O3'	sing	1.43Å	1.43Å
C11	C10	sing	1.38Å	1.40Å	Aromatic
C4'	C5'	sing	1.53Å	1.50Å
C13	C14	doub	1.38Å	1.39Å	Aromatic
C5'	O5'	sing	1.45Å	1.42Å
C10	C3	doub	1.38Å	1.39Å	Aromatic
C14	C3	sing	1.38Å	1.39Å	Aromatic
O5'	C1	sing	1.35Å	1.43Å
C3	C9	sing	1.51Å	1.51Å
O2	C1	doub	1.22Å	1.22Å
C1	N4	sing	1.35Å	1.33Å
C9	C7	sing	1.53Å	1.53Å
N4	C7	sing	1.47Å	1.46Å
C8	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
N2	H5	sing	0.97Å	1.00Å
N2	H6	sing	0.97Å	1.00Å
C1'	H8	sing	1.09Å	1.10Å
C2'	H9	sing	1.09Å	1.10Å
O2'	H10	sing	0.97Å	0.95Å
C3'	H11	sing	1.09Å	1.10Å
O3'	H12	sing	0.97Å	0.95Å
C4'	H13	sing	1.09Å	1.10Å
C5'	H14	sing	1.09Å	1.10Å
C5'	H15	sing	1.09Å	1.10Å
N4	H16	sing	0.97Å	1.00Å
C7	H17	sing	1.09Å	1.10Å
C7	H18	sing	1.09Å	1.10Å
C9	H19	sing	1.09Å	1.10Å
C9	H20	sing	1.09Å	1.10Å
C13	H21	sing	1.08Å	1.08Å
C14	H22	sing	1.08Å	1.08Å
N1	H23	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C6	N1	122.5°	120.8°
O6	C6	C5	120.1°	120.8°
N1	C6	C5	117.5°	118.4°
C6	N1	C2	123.2°	120.3°
C6	N1	H23	118.4°	119.9°
C6	C5	N7	135.7°	134.2°
C6	C5	C4	117.0°	118.5°
N1	C2	N2	118.7°	119.0°
N1	C2	N3	122.6°	121.9°
C2	N1	H23	118.4°	119.8°
N2	C2	N3	118.7°	119.1°
C2	N2	H5	120.0°	120.0°
C2	N2	H6	120.0°	120.1°
C2	N3	C4	120.0°	121.2°
N7	C5	C4	107.3°	107.3°
C5	N7	C8	107.1°	109.3°
C5	C4	N3	119.7°	119.7°
C5	C4	N9	105.8°	106.1°
N7	C8	N9	110.4°	109.8°
N7	C8	H1	124.8°	125.0°
N3	C4	N9	134.4°	134.2°
C4	N9	C8	109.4°	107.5°
C4	N9	C1'	123.7°	126.3°
C8	N9	C1'	126.8°	126.2°
N9	C8	H1	124.8°	125.1°
N9	C1'	C2'	112.4°	110.6°
N9	C1'	O4'	109.0°	110.6°
N9	C1'	H8	110.2°	110.5°
C2'	C1'	O4'	105.0°	103.5°
C1'	C2'	O2'	112.4°	110.9°
C1'	C2'	C3'	102.4°	102.1°
C2'	C1'	H8	109.2°	110.6°
C1'	C2'	H9	108.3°	110.9°
C1'	O4'	C4'	108.2°	106.9°
O4'	C1'	H8	111.0°	110.8°
O2'	C2'	C3'	115.3°	110.9°
O2'	C2'	H9	109.8°	110.8°
C2'	O2'	H10	109.5°	114.0°
C2'	C3'	C4'	103.9°	104.2°
C2'	C3'	O3'	111.0°	110.5°
C3'	C2'	H9	108.2°	110.9°
C2'	C3'	H11	110.0°	110.5°
O4'	C4'	C3'	106.7°	107.3°
O4'	C4'	C5'	109.6°	109.9°
O4'	C4'	H13	109.6°	109.8°
C11	C12	C13	119.5°	120.1°
C12	C11	C10	119.9°	119.9°
C12	C11	H3	120.0°	120.0°
C11	C12	H4	120.2°	119.9°
C12	C13	C14	120.5°	120.0°
C13	C12	H4	120.3°	120.0°
C12	C13	H21	119.8°	120.0°
C4'	C3'	O3'	110.3°	110.5°
C3'	C4'	C5'	113.8°	109.9°
C4'	C3'	H11	109.9°	110.5°
C3'	C4'	H13	108.3°	109.9°
O3'	C3'	H11	111.5°	110.5°
C3'	O3'	H12	109.5°	114.0°
C11	C10	C3	120.5°	120.0°
C11	C10	H2	119.8°	119.9°
C10	C11	H3	120.1°	120.0°
C4'	C5'	O5'	109.1°	109.5°
C5'	C4'	H13	108.8°	110.0°
C4'	C5'	H14	109.6°	109.5°
C4'	C5'	H15	109.6°	109.5°
C13	C14	C3	120.1°	120.0°
C14	C13	H21	119.7°	120.0°
C13	C14	H22	120.0°	120.0°
C5'	O5'	C1	120.2°	117.0°
O5'	C5'	H14	109.6°	109.5°
O5'	C5'	H15	109.6°	109.4°
C10	C3	C14	119.4°	120.0°
C10	C3	C9	120.3°	120.0°
C3	C10	H2	119.7°	120.0°
C14	C3	C9	120.3°	120.0°
C3	C14	H22	120.0°	120.0°
O5'	C1	O2	118.6°	120.0°
O5'	C1	N4	115.8°	120.0°
C3	C9	C7	109.4°	109.4°
C3	C9	H19	109.5°	109.5°
C3	C9	H20	109.5°	109.5°
O2	C1	N4	125.6°	120.0°
C1	N4	C7	120.9°	119.9°
C1	N4	H16	119.5°	120.0°
C9	C7	N4	112.7°	109.4°
C9	C7	H17	108.7°	109.5°
C9	C7	H18	108.6°	109.5°
C7	C9	H19	109.5°	109.5°
C7	C9	H20	109.5°	109.5°
C7	N4	H16	119.6°	120.1°
N4	C7	H17	108.7°	109.5°
N4	C7	H18	108.7°	109.5°
H5	N2	H6	120.0°	120.0°
H14	C5'	H15	109.5°	109.5°
H17	C7	H18	109.5°	109.5°
H19	C9	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C6	N1	C5	179.9°	180.0°
O6	C6	N1	C2	178.7°	180.0°
O6	C6	C5	N7	0.7°	0.0°
O6	C6	C5	C4	179.8°	180.0°
O6	C6	N1	H23	1.3°	0.0°
C6	N1	C2	H23	180.0°	179.9°
C6	N1	C2	N2	179.8°	179.7°
C6	N1	C2	N3	2.3°	0.0°
N1	C6	C5	N7	179.4°	180.0°
N1	C6	C5	C4	0.3°	0.0°
C5	C6	N1	C2	1.2°	0.1°
C6	C5	N7	C4	179.2°	180.0°
C6	C5	N7	C8	179.5°	180.0°
C6	C5	C4	N3	0.9°	0.0°
C6	C5	C4	N9	179.8°	180.0°
C5	C6	N1	H23	178.8°	180.0°
N1	C2	N2	N3	177.6°	179.7°
N1	C2	N3	C4	1.6°	0.0°
N1	C2	N2	H5	177.6°	179.8°
N1	C2	N2	H6	2.4°	0.2°
N2	C2	N3	C4	179.1°	179.7°
C2	N2	H5	H6	180.0°	180.0°
N2	C2	N1	H23	0.2°	0.3°
C2	N3	C4	C5	0.0°	0.0°
C2	N3	C4	N9	178.5°	180.0°
N3	C2	N2	H5	0.0°	0.0°
N3	C2	N2	H6	180.0°	180.0°
N3	C2	N1	H23	177.7°	180.0°
N7	C5	C4	N3	179.7°	180.0°
N7	C5	C4	N9	0.9°	0.0°
C5	N7	C8	N9	0.4°	0.0°
C5	N7	C8	H1	179.6°	180.0°
C4	C5	N7	C8	0.3°	0.0°
C5	C4	N3	N9	178.5°	179.9°
C5	C4	N9	C8	1.1°	0.0°
C5	C4	N9	C1'	177.6°	180.0°
N7	C8	N9	C4	1.0°	0.0°
N7	C8	N9	H1	180.0°	179.9°
N7	C8	N9	C1'	177.3°	180.0°
N3	C4	N9	C8	179.7°	180.0°
N3	C4	N9	C1'	3.8°	0.1°
C4	N9	C8	C1'	176.4°	180.0°
C4	N9	C1'	C2'	126.8°	85.0°
C4	N9	C1'	O4'	117.3°	160.9°
C4	N9	C8	H1	179.1°	180.0°
C4	N9	C1'	H8	4.7°	37.8°
C8	N9	C1'	C2'	49.1°	95.0°
C8	N9	C1'	O4'	66.8°	19.1°
C8	N9	C1'	H8	171.2°	142.1°
N9	C1'	C2'	O4'	118.3°	118.5°
N9	C1'	C2'	H8	122.6°	122.8°
N9	C1'	O4'	H8	121.5°	122.9°
N9	C1'	C2'	O2'	81.2°	86.3°
N9	C1'	C2'	C3'	154.4°	155.5°
N9	C1'	O4'	C4'	157.1°	158.5°
C1'	N9	C8	H1	2.7°	0.0°
N9	C1'	C2'	H9	40.2°	37.3°
C2'	C1'	O4'	H8	117.9°	118.6°
C1'	C2'	O2'	C3'	116.9°	112.7°
C1'	C2'	O2'	H9	120.6°	123.7°
C1'	C2'	C3'	H9	114.2°	118.2°
C2'	C1'	O4'	C4'	36.5°	40.0°
C1'	C2'	C3'	C4'	22.2°	20.9°
C1'	C2'	C3'	O3'	96.3°	97.8°
C1'	C2'	O2'	H10	180.0°	180.0°
C1'	C2'	C3'	H11	139.8°	139.6°
O4'	C1'	C2'	O2'	160.4°	155.2°
O4'	C1'	C2'	C3'	36.1°	37.0°
C1'	O4'	C4'	C3'	21.6°	26.5°
C1'	O4'	C4'	C5'	145.2°	145.9°
O4'	C1'	C2'	H9	78.1°	81.2°
C1'	O4'	C4'	H13	95.4°	92.9°
O2'	C2'	C3'	H9	123.3°	123.6°
O2'	C2'	C3'	C4'	144.6°	139.1°
O2'	C2'	C3'	O3'	26.1°	20.4°
O2'	C2'	C1'	H8	41.4°	36.5°
O2'	C2'	C3'	H11	97.8°	102.2°
C2'	C3'	C4'	O4'	1.9°	2.0°
C2'	C3'	C4'	O3'	119.0°	118.7°
C2'	C3'	C4'	H11	117.6°	118.7°
C2'	C3'	O3'	H11	123.0°	122.6°
C2'	C3'	C4'	C5'	119.1°	121.5°
C3'	C2'	C1'	H8	83.0°	81.7°
C3'	C2'	O2'	H10	63.1°	67.3°
C2'	C3'	O3'	H12	180.0°	61.5°
C2'	C3'	C4'	H13	119.8°	117.4°
O4'	C4'	C3'	C5'	121.0°	119.5°
O4'	C4'	C3'	H13	117.9°	119.4°
O4'	C4'	C3'	O3'	117.1°	120.7°
O4'	C4'	C5'	H13	119.8°	121.0°
O4'	C4'	C5'	O5'	177.2°	66.4°
C4'	O4'	C1'	H8	81.4°	78.6°
O4'	C4'	C3'	H11	119.6°	116.7°
O4'	C4'	C5'	H14	57.2°	173.6°
O4'	C4'	C5'	H15	62.9°	53.5°
C11	C12	C13	H4	180.0°	180.0°
C12	C11	C10	H3	180.0°	180.0°
C11	C12	C13	C14	0.3°	0.2°
C12	C11	C10	C3	0.2°	0.1°
C12	C11	C10	H2	179.8°	180.0°
C11	C12	C13	H21	179.7°	179.9°
C13	C12	C11	C10	0.3°	0.0°
C12	C13	C14	H21	180.0°	179.7°
C12	C13	C14	C3	0.3°	0.5°
C13	C12	C11	H3	179.7°	180.0°
C12	C13	C14	H22	179.8°	180.0°
C4'	C3'	O3'	H11	122.4°	122.6°
C3'	C4'	C5'	H13	120.8°	121.1°
C3'	C4'	C5'	O5'	57.8°	175.7°
C4'	C3'	C2'	H9	92.0°	97.3°
C4'	C3'	O3'	H12	65.4°	176.2°
C3'	C4'	C5'	H14	62.1°	55.7°
C3'	C4'	C5'	H15	177.7°	64.4°
O3'	C3'	C4'	C5'	121.9°	119.9°
O3'	C3'	C2'	H9	149.4°	144.0°
O3'	C3'	C4'	H13	0.8°	1.3°
C11	C10	C3	H2	180.0°	179.9°
C11	C10	C3	C14	0.8°	0.2°
C11	C10	C3	C9	179.9°	180.0°
C10	C11	C12	H4	179.7°	180.0°
C4'	C5'	O5'	H14	119.9°	120.0°
C4'	C5'	O5'	H15	119.9°	120.0°
C4'	C5'	O5'	C1	163.3°	180.0°
C5'	C4'	C3'	H11	1.5°	2.8°
C4'	C5'	H14	H15	120.2°	120.0°
C13	C14	C3	C10	0.8°	0.5°
C13	C14	C3	H22	180.0°	179.5°
C13	C14	C3	C9	179.9°	179.7°
C14	C13	C12	H4	179.7°	179.7°
C5'	O5'	C1	O2	24.9°	0.3°
C5'	O5'	C1	N4	156.1°	180.0°
O5'	C5'	C4'	H13	63.0°	54.6°
O5'	C5'	H14	H15	120.2°	119.9°
C10	C3	C14	C9	179.4°	179.8°
C10	C3	C9	C7	79.2°	90.0°
C3	C10	C11	H3	179.7°	180.0°
C10	C3	C9	H19	40.8°	150.0°
C10	C3	C9	H20	160.8°	29.9°
C10	C3	C14	H22	179.2°	180.0°
C14	C3	C9	C7	101.4°	89.8°
C14	C3	C10	H2	179.2°	179.7°
C14	C3	C9	H19	138.6°	30.2°
C14	C3	C9	H20	18.6°	150.3°
C3	C14	C13	H21	179.7°	179.8°
O5'	C1	O2	N4	178.8°	179.7°
O5'	C1	N4	C7	12.9°	180.0°
C1	O5'	C5'	H14	43.3°	60.0°
C1	O5'	C5'	H15	76.8°	60.0°
O5'	C1	N4	H16	167.1°	0.0°
C3	C9	C7	H19	120.0°	120.0°
C3	C9	C7	H20	120.0°	120.0°
C3	C9	C7	N4	81.4°	180.0°
C9	C3	C10	H2	0.1°	0.0°
C3	C9	C7	H17	39.1°	60.0°
C3	C9	C7	H18	158.1°	60.0°
C3	C9	H19	H20	120.0°	120.0°
C9	C3	C14	H22	0.1°	0.2°
O2	C1	N4	C7	168.2°	0.3°
O2	C1	N4	H16	11.8°	179.7°
C1	N4	C7	C9	120.3°	180.0°
C1	N4	C7	H16	180.0°	180.0°
C1	N4	C7	H17	0.2°	60.0°
C1	N4	C7	H18	119.3°	60.0°
C9	C7	N4	H17	120.5°	120.0°
C9	C7	N4	H18	120.5°	120.0°
C9	C7	N4	H16	59.7°	0.0°
C9	C7	H17	H18	118.5°	120.0°
C7	C9	H19	H20	120.0°	120.0°
N4	C7	H17	H18	118.6°	120.0°
N4	C7	C9	H19	158.6°	60.1°
N4	C7	C9	H20	38.6°	60.0°
H2	C10	C11	H3	0.3°	0.0°
H3	C11	C12	H4	0.3°	0.0°
H4	C12	C13	H21	0.3°	0.0°
H8	C1'	C2'	H9	162.8°	160.1°
H9	C2'	O2'	H10	59.4°	56.3°
H9	C2'	C3'	H11	25.6°	21.3°
H11	C3'	O3'	H12	57.0°	61.2°
H11	C3'	C4'	H13	122.6°	124.0°
H13	C4'	C5'	H14	177.0°	65.4°
H13	C4'	C5'	H15	56.9°	174.5°
H16	N4	C7	H17	179.8°	120.0°
H16	N4	C7	H18	60.7°	120.0°
H17	C7	C9	H19	80.9°	59.9°
H17	C7	C9	H20	159.1°	180.0°
H18	C7	C9	H19	38.1°	180.0°
H18	C7	C9	H20	81.9°	59.9°
H21	C13	C14	H22	0.2°	0.3°

Release date:	2019-09-18
Definition date:	2018-11-19
Last modified:	2019-09-13
Release status:	REL
Processing site:	RCSB
Derived from:	6N3W