6YB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N6	C6	sing	1.38Å	1.49Å
C6	C5	doub	1.40Å	1.39Å	Aromatic
C6	N1	sing	1.33Å	1.35Å	Aromatic
N7	C5	sing	1.35Å	1.35Å	Aromatic
N7	C8	doub	1.30Å	1.36Å	Aromatic
C5	C4	sing	1.41Å	1.39Å	Aromatic
N1	C2	doub	1.32Å	1.34Å	Aromatic
C8	N9	sing	1.36Å	1.35Å	Aromatic
C4	N9	sing	1.37Å	1.36Å	Aromatic
C4	N3	doub	1.33Å	1.35Å	Aromatic
C2	N3	sing	1.32Å	1.36Å	Aromatic
N9	C1'	sing	1.47Å	1.47Å
N11	C12	sing	1.37Å	1.31Å
C2'	C1'	sing	1.55Å	1.52Å
C2'	O2'	sing	1.43Å	1.45Å
C2'	C3'	sing	1.55Å	1.47Å
C1'	O4'	sing	1.44Å	1.46Å
N10	C12	sing	1.37Å	1.45Å
N10	C11	sing	1.47Å	1.52Å
C12	N12	doub	1.30Å	1.44Å
O4'	C4'	sing	1.44Å	1.44Å
C11	C10	sing	1.53Å	1.52Å
C5'	C4'	sing	1.53Å	1.54Å
C5'	ND	sing	1.47Å	1.52Å
C3'	C4'	sing	1.54Å	1.50Å
C3'	O3'	sing	1.43Å	1.39Å
C10	ND	sing	1.47Å	1.47Å
ND	CG	sing	1.47Å	1.46Å
CG	CB	sing	1.53Å	1.52Å
CB	CA	sing	1.53Å	1.56Å
N	CA	sing	1.47Å	1.43Å
CA	C	sing	1.51Å	1.50Å
C	O	doub	1.21Å	1.26Å
C	OXT	sing	1.34Å	1.29Å
C2	H21	sing	1.08Å	1.08Å
N10	H103	sing	0.97Å	1.00Å
C11	H112	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C10	H101	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C5'	H5'1	sing	1.09Å	1.10Å
C4'	H4'1	sing	1.09Å	1.10Å
C1'	H1'1	sing	1.09Å	1.10Å
N6	H62	sing	0.97Å	1.00Å
N6	H61	sing	0.97Å	1.00Å
C8	H81	sing	1.08Å	1.08Å
C2'	H2'1	sing	1.09Å	1.10Å
O2'	H2'2	sing	0.97Å	0.95Å
C3'	H3'1	sing	1.09Å	1.10Å
O3'	H3'2	sing	0.97Å	0.95Å
CG	HG3	sing	1.09Å	1.10Å
CG	HG2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CA	HA	sing	1.09Å	1.10Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
N12	H121	sing	0.97Å	1.00Å
N11	H113	sing	0.97Å	1.00Å
N11	H4	sing	0.97Å	1.00Å
OXT	H5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N6	C6	C5	119.6°	120.8°
N6	C6	N1	120.9°	120.7°
C6	N6	H62	109.5°	119.9°
C6	N6	H61	109.4°	120.1°
C5	C6	N1	119.5°	118.5°
C6	C5	N7	134.5°	134.8°
C6	C5	C4	118.4°	118.2°
C6	N1	C2	120.6°	121.2°
C5	N7	C8	108.5°	109.5°
N7	C5	C4	107.0°	107.1°
N7	C8	N9	108.5°	110.0°
N7	C8	H81	125.8°	125.0°
C5	C4	N9	107.7°	106.0°
C5	C4	N3	120.3°	119.1°
N1	C2	N3	121.4°	122.5°
N1	C2	H21	119.3°	118.8°
C8	N9	C4	108.3°	107.5°
C8	N9	C1'	129.8°	126.3°
N9	C8	H81	125.8°	125.0°
N9	C4	N3	132.0°	134.9°
C4	N9	C1'	121.8°	126.3°
C4	N3	C2	119.8°	120.6°
N3	C2	H21	119.3°	118.7°
N9	C1'	C2'	104.8°	110.7°
N9	C1'	O4'	119.6°	110.6°
N9	C1'	H1'1	108.7°	110.5°
N11	C12	N10	119.8°	120.0°
N11	C12	N12	119.6°	120.0°
C12	N11	H113	120.0°	120.0°
C12	N11	H4	120.0°	120.1°
C1'	C2'	O2'	112.6°	111.0°
C1'	C2'	C3'	103.8°	102.1°
C2'	C1'	O4'	106.2°	103.5°
C2'	C1'	H1'1	108.1°	110.6°
C1'	C2'	H2'1	109.1°	110.9°
O2'	C2'	C3'	111.0°	110.8°
O2'	C2'	H2'1	110.2°	110.8°
C2'	O2'	H2'2	109.5°	114.0°
C2'	C3'	C4'	106.0°	104.1°
C2'	C3'	O3'	109.8°	110.5°
C3'	C2'	H2'1	109.8°	110.9°
C2'	C3'	H3'1	110.5°	110.5°
C1'	O4'	C4'	108.2°	107.0°
O4'	C1'	H1'1	108.9°	110.6°
C12	N10	C11	121.0°	120.0°
N10	C12	N12	120.6°	120.0°
C12	N10	H103	119.5°	120.0°
N10	C11	C10	109.6°	109.4°
C11	N10	H103	119.5°	120.0°
N10	C11	H112	109.4°	109.5°
N10	C11	H111	109.4°	109.4°
C12	N12	H121	112.0°	120.1°
O4'	C4'	C5'	108.8°	109.9°
O4'	C4'	C3'	108.0°	107.4°
O4'	C4'	H4'1	109.3°	109.9°
C11	C10	ND	115.1°	109.5°
C10	C11	H112	109.4°	109.5°
C10	C11	H111	109.4°	109.5°
C11	C10	H102	108.0°	109.5°
C11	C10	H101	108.1°	109.5°
C4'	C5'	ND	109.8°	109.4°
C5'	C4'	C3'	114.2°	109.9°
C4'	C5'	H5'2	109.4°	109.5°
C4'	C5'	H5'1	109.4°	109.5°
C5'	C4'	H4'1	108.0°	109.9°
C5'	ND	C10	111.3°	111.0°
C5'	ND	CG	113.7°	111.0°
ND	C5'	H5'2	109.4°	109.4°
ND	C5'	H5'1	109.4°	109.5°
C4'	C3'	O3'	108.4°	110.7°
C3'	C4'	H4'1	108.6°	109.8°
C4'	C3'	H3'1	110.2°	110.4°
O3'	C3'	H3'1	111.9°	110.5°
C3'	O3'	H3'2	109.5°	114.0°
C10	ND	CG	112.2°	111.0°
ND	C10	H102	108.1°	109.4°
ND	C10	H101	108.0°	109.5°
ND	CG	CB	109.3°	109.5°
ND	CG	HG3	109.5°	109.4°
ND	CG	HG2	109.5°	109.5°
CG	CB	CA	117.3°	109.5°
CB	CG	HG3	109.5°	109.4°
CB	CG	HG2	109.5°	109.5°
CG	CB	HB3	107.5°	109.5°
CG	CB	HB2	107.5°	109.5°
CB	CA	N	112.4°	109.4°
CB	CA	C	111.5°	109.4°
CA	CB	HB3	107.5°	109.5°
CA	CB	HB2	107.5°	109.5°
CB	CA	HA	106.6°	109.5°
N	CA	C	110.7°	109.5°
N	CA	HA	108.2°	109.5°
CA	N	H	109.5°	111.1°
CA	N	H2	109.5°	111.0°
CA	C	O	120.1°	120.0°
CA	C	OXT	119.6°	120.0°
C	CA	HA	107.2°	109.5°
O	C	OXT	120.3°	120.0°
C	OXT	H5	109.5°	117.0°
H112	C11	H111	109.5°	109.5°
H102	C10	H101	109.5°	109.4°
H5'2	C5'	H5'1	109.5°	109.5°
H62	N6	H61	109.5°	120.0°
HG3	CG	HG2	109.5°	109.5°
HB3	CB	HB2	109.5°	109.4°
H	N	H2	109.5°	111.0°
H113	N11	H4	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N6	C6	C5	N1	179.9°	179.9°
N6	C6	C5	N7	0.1°	0.0°
N6	C6	C5	C4	179.9°	180.0°
N6	C6	N1	C2	179.9°	180.0°
C6	N6	H62	H61	120.0°	180.0°
C6	C5	N7	C4	179.9°	180.0°
C6	C5	N7	C8	179.6°	180.0°
C5	C6	N1	C2	0.2°	0.0°
C6	C5	C4	N9	179.5°	180.0°
C6	C5	C4	N3	0.2°	0.0°
C5	C6	N6	H62	179.8°	0.0°
C5	C6	N6	H61	60.1°	180.0°
N1	C6	C5	N7	180.0°	179.9°
N1	C6	C5	C4	0.1°	0.0°
C6	N1	C2	N3	0.1°	0.1°
C6	N1	C2	H21	179.9°	180.0°
N1	C6	N6	H62	0.0°	179.9°
N1	C6	N6	H61	120.0°	0.1°
C5	N7	C8	N9	1.1°	0.0°
N7	C5	C4	N9	0.5°	0.0°
N7	C5	C4	N3	179.7°	179.9°
C5	N7	C8	H81	178.9°	180.0°
C8	N7	C5	C4	0.4°	0.0°
N7	C8	N9	H81	180.0°	180.0°
N7	C8	N9	C4	1.4°	0.0°
N7	C8	N9	C1'	178.4°	180.0°
C5	C4	N9	C8	1.2°	0.0°
C5	C4	N9	N3	179.7°	179.9°
C5	C4	N3	C2	0.4°	0.0°
C5	C4	N9	C1'	178.5°	180.0°
N1	C2	N3	C4	0.2°	0.0°
N1	C2	N3	H21	180.0°	180.0°
C8	N9	C4	C1'	177.3°	180.0°
C8	N9	C4	N3	179.1°	179.9°
C8	N9	C1'	C2'	51.6°	90.6°
C8	N9	C1'	O4'	67.1°	23.6°
C8	N9	C1'	H1'1	167.0°	146.4°
N9	C4	N3	C2	179.3°	180.0°
C4	N9	C1'	C2'	131.7°	89.4°
C4	N9	C1'	O4'	109.5°	156.5°
C4	N9	C1'	H1'1	16.3°	33.6°
C4	N9	C8	H81	178.6°	180.0°
N3	C4	N9	C1'	1.8°	0.1°
C4	N3	C2	H21	179.8°	180.0°
N9	C1'	C2'	O4'	127.5°	118.6°
N9	C1'	C2'	H1'1	115.8°	122.9°
N9	C1'	C2'	O2'	85.1°	86.2°
N9	C1'	C2'	C3'	154.7°	155.7°
N9	C1'	O4'	H1'1	125.8°	122.8°
N9	C1'	O4'	C4'	135.1°	158.7°
C1'	N9	C8	H81	1.6°	0.0°
N9	C1'	C2'	H2'1	37.6°	37.4°
N11	C12	N10	N12	179.9°	179.9°
N11	C12	N10	C11	179.7°	0.0°
N11	C12	N10	H103	0.3°	180.0°
N11	C12	N12	H121	179.9°	180.0°
C12	N11	H113	H4	180.0°	180.0°
C1'	C2'	O2'	C3'	116.0°	112.7°
C1'	C2'	O2'	H2'1	122.1°	123.7°
C1'	C2'	C3'	H2'1	116.6°	118.2°
C2'	C1'	O4'	H1'1	116.1°	118.6°
C2'	C1'	O4'	C4'	17.1°	40.1°
C1'	C2'	C3'	C4'	26.7°	21.0°
C1'	C2'	C3'	O3'	90.2°	97.8°
C1'	C2'	O2'	H2'2	180.0°	180.0°
C1'	C2'	C3'	H3'1	146.0°	139.6°
O2'	C2'	C3'	H2'1	122.1°	123.5°
O2'	C2'	C1'	O4'	147.4°	155.2°
O2'	C2'	C3'	C4'	148.0°	139.2°
O2'	C2'	C3'	O3'	31.1°	20.4°
O2'	C2'	C1'	H1'1	30.7°	36.7°
O2'	C2'	C3'	H3'1	92.7°	102.2°
C3'	C2'	C1'	O4'	27.2°	37.1°
C2'	C3'	C4'	O4'	17.1°	1.9°
C2'	C3'	C4'	C5'	104.0°	121.4°
C2'	C3'	C4'	O3'	117.8°	118.7°
C2'	C3'	C4'	H3'1	119.6°	118.6°
C2'	C3'	O3'	H3'1	123.0°	122.7°
C2'	C3'	C4'	H4'1	135.5°	117.6°
C3'	C2'	C1'	H1'1	89.5°	81.5°
C3'	C2'	O2'	H2'2	64.1°	67.3°
C2'	C3'	O3'	H3'2	180.0°	61.5°
C1'	O4'	C4'	C5'	124.8°	145.9°
C1'	O4'	C4'	C3'	0.4°	26.4°
C1'	O4'	C4'	H4'1	117.5°	93.0°
O4'	C1'	C2'	H2'1	89.9°	81.2°
C12	N10	C11	H103	180.0°	180.0°
C12	N10	C11	C10	90.7°	180.0°
C12	N10	C11	H112	29.4°	60.0°
C12	N10	C11	H111	149.3°	60.0°
N10	C12	N12	H121	0.0°	0.1°
N10	C12	N11	H113	179.9°	0.0°
N10	C12	N11	H4	0.1°	180.0°
C11	N10	C12	N12	0.4°	180.0°
N10	C11	C10	H112	120.0°	120.0°
N10	C11	C10	H111	120.0°	120.0°
N10	C11	C10	ND	149.9°	180.0°
N10	C11	H112	H111	119.9°	120.0°
N10	C11	C10	H102	29.1°	60.0°
N10	C11	C10	H101	89.3°	60.0°
N12	C12	N10	H103	179.6°	0.0°
N12	C12	N11	H113	0.0°	180.0°
N12	C12	N11	H4	180.0°	0.0°
O4'	C4'	C5'	C3'	120.7°	117.9°
O4'	C4'	C5'	H4'1	118.5°	121.1°
O4'	C4'	C5'	ND	145.1°	60.3°
O4'	C4'	C3'	H4'1	118.4°	119.5°
O4'	C4'	C3'	O3'	100.7°	120.6°
O4'	C4'	C5'	H5'2	94.9°	59.6°
O4'	C4'	C5'	H5'1	25.1°	179.7°
C4'	O4'	C1'	H1'1	99.1°	78.5°
O4'	C4'	C3'	H3'1	136.7°	116.7°
C11	C10	ND	C5'	54.9°	170.0°
C11	C10	ND	H102	120.8°	120.0°
C11	C10	ND	H101	120.8°	120.0°
C11	C10	ND	CG	73.8°	66.0°
C10	C11	N10	H103	89.3°	0.0°
C10	C11	H112	H111	119.9°	120.0°
C11	C10	H102	H101	117.5°	120.0°
C4'	C5'	ND	H5'2	120.1°	120.0°
C4'	C5'	ND	H5'1	120.0°	120.0°
C5'	C4'	C3'	H4'1	120.5°	121.0°
C5'	C4'	C3'	O3'	138.2°	119.9°
C4'	C5'	ND	C10	147.7°	75.4°
C4'	C5'	ND	CG	84.4°	160.6°
C4'	C5'	H5'2	H5'1	119.9°	120.1°
C5'	C4'	C3'	H3'1	15.6°	2.8°
ND	C5'	C4'	C3'	94.2°	178.3°
C5'	ND	C10	CG	128.7°	124.0°
C5'	ND	CG	CB	101.7°	71.6°
C5'	ND	C10	H102	65.9°	70.0°
C5'	ND	C10	H101	175.7°	50.0°
ND	C5'	H5'2	H5'1	119.8°	119.9°
ND	C5'	C4'	H4'1	26.6°	60.8°
C5'	ND	CG	HG3	138.3°	168.4°
C5'	ND	CG	HG2	18.3°	48.4°
C4'	C3'	O3'	H3'1	121.6°	122.6°
C3'	C4'	C5'	H5'2	25.8°	58.3°
C3'	C4'	C5'	H5'1	145.7°	61.7°
C4'	C3'	C2'	H2'1	89.9°	97.3°
C4'	C3'	O3'	H3'2	64.7°	176.2°
O3'	C3'	C4'	H4'1	17.7°	1.1°
O3'	C3'	C2'	H2'1	153.3°	143.9°
C10	ND	CG	CB	130.9°	164.4°
ND	C10	C11	H112	90.0°	60.0°
ND	C10	C11	H111	29.9°	60.0°
ND	C10	H102	H101	117.5°	120.0°
C10	ND	C5'	H5'2	27.6°	164.6°
C10	ND	C5'	H5'1	92.3°	44.6°
C10	ND	CG	HG3	10.9°	44.4°
C10	ND	CG	HG2	109.1°	75.6°
ND	CG	CB	HG3	120.0°	120.0°
ND	CG	CB	HG2	120.0°	120.0°
ND	CG	CB	CA	176.2°	174.8°
CG	ND	C10	H102	165.4°	54.0°
CG	ND	C10	H101	47.0°	173.9°
CG	ND	C5'	H5'2	155.5°	40.6°
CG	ND	C5'	H5'1	35.6°	79.4°
ND	CG	HG3	HG2	120.1°	120.0°
ND	CG	CB	HB3	62.7°	65.1°
ND	CG	CB	HB2	55.1°	54.8°
CG	CB	CA	HB3	121.1°	120.0°
CG	CB	CA	HB2	121.1°	120.0°
CG	CB	CA	N	24.0°	65.4°
CG	CB	CA	C	100.9°	174.6°
CB	CG	HG3	HG2	120.1°	120.0°
CG	CB	HB3	HB2	116.5°	120.0°
CG	CB	CA	HA	142.3°	54.6°
CB	CA	N	C	125.4°	119.9°
CB	CA	N	HA	117.4°	120.0°
CB	CA	C	HA	116.3°	120.0°
CB	CA	C	O	117.3°	98.7°
CB	CA	C	OXT	63.1°	81.3°
CA	CB	CG	HG3	56.2°	54.9°
CA	CB	CG	HG2	63.8°	65.1°
CA	CB	HB3	HB2	116.4°	120.0°
CB	CA	N	H	180.0°	60.0°
CB	CA	N	H2	60.0°	64.0°
N	CA	C	HA	117.8°	120.0°
N	CA	C	O	8.6°	21.2°
N	CA	C	OXT	170.9°	158.8°
N	CA	CB	HB3	97.1°	174.6°
N	CA	CB	HB2	145.1°	54.6°
CA	N	H	H2	120.0°	124.0°
CA	C	O	OXT	179.5°	180.0°
C	CA	CB	HB3	137.9°	54.6°
C	CA	CB	HB2	20.2°	65.3°
C	CA	N	H	54.6°	60.0°
C	CA	N	H2	65.3°	176.1°
CA	C	OXT	H5	179.5°	180.0°
O	C	CA	HA	126.4°	141.3°
O	C	OXT	H5	0.0°	0.0°
OXT	C	CA	HA	53.2°	38.7°
H103	N10	C11	H112	150.6°	120.0°
H103	N10	C11	H111	30.7°	120.0°
H112	C11	C10	H102	149.1°	180.0°
H112	C11	C10	H101	30.7°	60.0°
H111	C11	C10	H102	90.9°	60.0°
H111	C11	C10	H101	150.7°	180.0°
H5'2	C5'	C4'	H4'1	146.7°	179.3°
H5'1	C5'	C4'	H4'1	93.4°	59.2°
H4'1	C4'	C3'	H3'1	105.0°	123.8°
H1'1	C1'	C2'	H2'1	153.4°	160.3°
H2'1	C2'	O2'	H2'2	57.8°	56.3°
H2'1	C2'	C3'	H3'1	29.4°	21.3°
H3'1	C3'	O3'	H3'2	56.9°	61.2°
HG3	CG	CB	HB3	177.3°	174.9°
HG3	CG	CB	HB2	64.9°	65.2°
HG2	CG	CB	HB3	57.3°	54.9°
HG2	CG	CB	HB2	175.0°	174.8°
HB3	CB	CA	HA	21.2°	65.4°
HB2	CB	CA	HA	96.5°	174.6°
HA	CA	N	H	62.6°	180.0°
HA	CA	N	H2	177.5°	56.0°

Release date:	2017-08-16
Definition date:	2016-07-22
Last modified:	2017-08-11
Release status:	REL
Processing site:	EBI
Derived from:	5LKJ