6D2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N6	C6	sing	1.38Å	1.39Å
C6	C5	doub	1.41Å	1.40Å	Aromatic
C6	N1	sing	1.33Å	1.36Å	Aromatic
N7	C5	sing	1.35Å	1.37Å	Aromatic
N7	C8	doub	1.30Å	1.35Å	Aromatic
C5	C4	sing	1.41Å	1.36Å	Aromatic
N1	C2	doub	1.32Å	1.32Å	Aromatic
C8	N9	sing	1.36Å	1.33Å	Aromatic
C4	N9	sing	1.37Å	1.37Å	Aromatic
C4	N3	doub	1.33Å	1.36Å	Aromatic
C2	N3	sing	1.32Å	1.35Å	Aromatic
N9	C1'	sing	1.47Å	1.44Å
N12	C12	sing	1.47Å	1.45Å
N12	C14	sing	1.37Å	1.42Å
N11	C14	sing	1.37Å	1.35Å
C1'	C2'	sing	1.54Å	1.56Å
C1'	O4'	sing	1.45Å	1.46Å
C2'	O2'	sing	1.43Å	1.42Å
C2'	C3'	sing	1.55Å	1.49Å
C12	C11	sing	1.53Å	1.52Å
O4'	C4'	sing	1.44Å	1.44Å
C14	N10	doub	1.30Å	1.47Å
C3'	C4'	sing	1.54Å	1.48Å
C3'	O3'	sing	1.43Å	1.43Å
C5'	C4'	sing	1.53Å	1.58Å
C5'	ND	sing	1.47Å	1.47Å
C11	C10	sing	1.53Å	1.55Å
C10	ND	sing	1.47Å	1.44Å
ND	CG	sing	1.47Å	1.48Å
CG	CB	sing	1.53Å	1.54Å
CB	CA	sing	1.53Å	1.55Å
N	CA	sing	1.47Å	1.41Å
CA	C	sing	1.51Å	1.50Å
O	C	doub	1.21Å	1.31Å
C	OXT	sing	1.34Å	1.25Å
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
C2	H21	sing	1.08Å	1.08Å
C12	H122	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C8	H81	sing	1.08Å	1.08Å
N6	H61	sing	0.97Å	1.00Å
N6	H62	sing	0.97Å	1.00Å
CG	HG3	sing	1.09Å	1.10Å
CG	HG2	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	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
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C4'	H4'1	sing	1.09Å	1.10Å
C3'	H3'1	sing	1.09Å	1.10Å
C2'	H2'1	sing	1.09Å	1.10Å
O2'	H2'2	sing	0.97Å	0.95Å
C1'	H1'1	sing	1.09Å	1.10Å
O3'	H3'2	sing	0.97Å	0.95Å
N10	H104	sing	0.97Å	1.00Å
N11	H113	sing	0.97Å	1.00Å
N11	H4	sing	0.97Å	1.00Å
N12	H123	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	118.3°	120.8°
N6	C6	N1	122.0°	120.8°
C6	N6	H61	109.5°	119.9°
C6	N6	H62	109.4°	120.0°
C5	C6	N1	119.7°	118.5°
C6	C5	N7	134.6°	134.7°
C6	C5	C4	117.1°	118.2°
C6	N1	C2	121.4°	121.2°
C5	N7	C8	106.8°	109.5°
N7	C5	C4	108.3°	107.1°
N7	C8	N9	109.7°	110.0°
N7	C8	H81	125.1°	125.0°
C5	C4	N9	106.5°	106.0°
C5	C4	N3	121.4°	119.1°
N1	C2	N3	120.6°	122.5°
N1	C2	H21	119.7°	118.7°
C8	N9	C4	108.6°	107.5°
C8	N9	C1'	127.3°	126.2°
N9	C8	H81	125.2°	125.0°
N9	C4	N3	132.0°	135.0°
C4	N9	C1'	123.6°	126.3°
C4	N3	C2	119.8°	120.7°
N3	C2	H21	119.7°	118.8°
N9	C1'	C2'	113.5°	110.4°
N9	C1'	O4'	108.7°	110.4°
N9	C1'	H1'1	110.8°	110.4°
C12	N12	C14	126.7°	119.9°
N12	C12	C11	115.7°	109.5°
N12	C12	H122	107.9°	109.5°
N12	C12	H121	107.9°	109.5°
C12	N12	H123	116.7°	120.0°
N12	C14	N11	118.1°	120.0°
N12	C14	N10	125.4°	120.0°
C14	N12	H123	116.6°	120.0°
N11	C14	N10	116.5°	120.0°
C14	N11	H113	120.0°	120.0°
C14	N11	H4	120.0°	120.0°
C2'	C1'	O4'	103.7°	104.9°
C1'	C2'	O2'	115.0°	110.5°
C1'	C2'	C3'	100.7°	104.1°
C1'	C2'	H2'1	108.9°	110.7°
C2'	C1'	H1'1	109.2°	110.4°
C1'	O4'	C4'	106.4°	105.2°
O4'	C1'	H1'1	110.6°	110.3°
O2'	C2'	C3'	111.1°	110.5°
O2'	C2'	H2'1	110.8°	110.4°
C2'	O2'	H2'2	109.5°	114.0°
C2'	C3'	C4'	109.2°	104.0°
C2'	C3'	O3'	111.4°	110.5°
C2'	C3'	H3'1	110.6°	110.7°
C3'	C2'	H2'1	109.9°	110.5°
C12	C11	C10	113.7°	109.5°
C12	C11	H112	108.4°	109.5°
C12	C11	H111	108.4°	109.5°
C11	C12	H122	107.9°	109.5°
C11	C12	H121	107.9°	109.5°
O4'	C4'	C3'	106.1°	104.9°
O4'	C4'	C5'	101.3°	110.4°
O4'	C4'	H4'1	111.4°	110.4°
C14	N10	H104	112.0°	120.0°
C4'	C3'	O3'	103.5°	110.5°
C3'	C4'	C5'	117.6°	110.4°
C3'	C4'	H4'1	110.7°	110.4°
C4'	C3'	H3'1	110.6°	110.5°
O3'	C3'	H3'1	111.4°	110.4°
C3'	O3'	H3'2	109.5°	114.0°
C4'	C5'	ND	112.5°	109.5°
C4'	C5'	H5'1	108.7°	109.4°
C4'	C5'	H5'2	108.7°	109.5°
C5'	C4'	H4'1	109.4°	110.3°
C5'	ND	C10	108.8°	111.0°
C5'	ND	CG	112.4°	111.0°
ND	C5'	H5'1	108.7°	109.5°
ND	C5'	H5'2	108.7°	109.5°
C11	C10	ND	116.1°	109.5°
C10	C11	H112	108.4°	109.5°
C10	C11	H111	108.4°	109.5°
C11	C10	H102	107.8°	109.4°
C11	C10	H101	107.8°	109.5°
C10	ND	CG	116.4°	111.0°
ND	C10	H102	107.8°	109.4°
ND	C10	H101	107.8°	109.5°
ND	CG	CB	110.1°	109.5°
ND	CG	HG3	109.3°	109.5°
ND	CG	HG2	109.3°	109.5°
CG	CB	CA	115.2°	109.5°
CB	CG	HG3	109.3°	109.4°
CB	CG	HG2	109.3°	109.5°
CG	CB	HB2	108.0°	109.5°
CG	CB	HB3	108.0°	109.5°
CB	CA	N	113.5°	109.5°
CB	CA	C	113.9°	109.5°
CA	CB	HB2	108.0°	109.5°
CA	CB	HB3	108.0°	109.5°
CB	CA	HA	107.5°	109.4°
N	CA	C	104.3°	109.5°
N	CA	HA	109.3°	109.4°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
CA	C	O	121.0°	120.0°
CA	C	OXT	117.0°	120.0°
C	CA	HA	108.2°	109.5°
O	C	OXT	122.0°	120.0°
C	OXT	H5	109.5°	117.0°
H112	C11	H111	109.5°	109.4°
H102	C10	H101	109.5°	109.5°
H122	C12	H121	109.4°	109.5°
H61	N6	H62	109.5°	120.1°
HG3	CG	HG2	109.5°	109.4°
HB2	CB	HB3	109.5°	109.4°
H	N	H2	109.4°	110.9°
H5'1	C5'	H5'2	109.5°	109.5°
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	179.1°	179.7°
N6	C6	C5	N7	0.7°	0.3°
N6	C6	C5	C4	178.9°	180.0°
N6	C6	N1	C2	178.6°	179.8°
C6	N6	H61	H62	120.0°	180.0°
C6	C5	N7	C4	179.6°	179.8°
C6	C5	N7	C8	179.4°	179.9°
C5	C6	N1	C2	0.5°	0.1°
C6	C5	C4	N9	178.0°	180.0°
C6	C5	C4	N3	0.2°	0.5°
C5	C6	N6	H61	179.1°	0.0°
C5	C6	N6	H62	60.9°	180.0°
N1	C6	C5	N7	179.8°	180.0°
N1	C6	C5	C4	0.2°	0.3°
C6	N1	C2	N3	0.7°	0.0°
C6	N1	C2	H21	179.3°	179.8°
N1	C6	N6	H61	0.0°	179.7°
N1	C6	N6	H62	120.0°	0.3°
C5	N7	C8	N9	3.4°	0.3°
N7	C5	C4	N9	1.7°	0.2°
N7	C5	C4	N3	179.9°	179.7°
C5	N7	C8	H81	176.6°	179.9°
C8	N7	C5	C4	1.0°	0.3°
N7	C8	N9	H81	180.0°	179.8°
N7	C8	N9	C4	4.5°	0.2°
N7	C8	N9	C1'	176.6°	179.8°
C5	C4	N9	C8	3.8°	0.0°
C5	C4	N9	N3	177.9°	179.4°
C5	C4	N3	C2	0.4°	0.5°
C5	C4	N9	C1'	176.2°	180.0°
N1	C2	N3	C4	0.6°	0.3°
N1	C2	N3	H21	180.0°	179.7°
C8	N9	C4	C1'	172.4°	180.0°
C8	N9	C4	N3	178.3°	179.4°
C8	N9	C1'	C2'	54.9°	96.4°
C8	N9	C1'	O4'	59.9°	19.1°
C8	N9	C1'	H1'1	178.2°	141.3°
N9	C4	N3	C2	177.3°	179.8°
C4	N9	C1'	C2'	134.1°	83.6°
C4	N9	C1'	O4'	111.0°	160.8°
C4	N9	C8	H81	175.5°	180.0°
C4	N9	C1'	H1'1	10.8°	38.7°
N3	C4	N9	C1'	5.9°	0.6°
C4	N3	C2	H21	179.4°	180.0°
N9	C1'	C2'	O4'	117.8°	118.9°
N9	C1'	C2'	H1'1	124.2°	122.3°
N9	C1'	O4'	H1'1	121.9°	122.3°
N9	C1'	C2'	O2'	89.0°	98.5°
N9	C1'	C2'	C3'	151.5°	142.8°
N9	C1'	O4'	C4'	158.6°	159.2°
C1'	N9	C8	H81	3.4°	0.0°
N9	C1'	C2'	H2'1	36.0°	24.1°
C12	N12	C14	H123	180.0°	180.0°
C12	N12	C14	N11	179.6°	180.0°
N12	C12	C11	H122	120.9°	120.0°
N12	C12	C11	H121	120.9°	120.0°
C12	N12	C14	N10	0.3°	0.0°
N12	C12	C11	C10	95.0°	180.0°
N12	C12	C11	H112	25.6°	60.0°
N12	C12	C11	H111	144.4°	59.9°
N12	C12	H122	H121	117.1°	120.0°
N12	C14	N11	N10	179.9°	180.0°
C14	N12	C12	C11	39.3°	180.0°
C14	N12	C12	H122	81.6°	60.0°
C14	N12	C12	H121	160.2°	60.0°
N12	C14	N10	H104	179.9°	180.0°
N12	C14	N11	H113	179.9°	180.0°
N12	C14	N11	H4	0.1°	0.0°
N11	C14	N10	H104	0.0°	0.0°
C14	N11	H113	H4	180.0°	180.0°
N11	C14	N12	H123	0.4°	0.0°
C2'	C1'	O4'	H1'1	117.0°	118.8°
C1'	C2'	O2'	C3'	113.6°	114.6°
C1'	C2'	O2'	H2'1	124.0°	122.8°
C1'	C2'	C3'	H2'1	114.8°	118.8°
C2'	C1'	O4'	C4'	37.5°	40.3°
C1'	C2'	C3'	C4'	18.6°	0.0°
C1'	C2'	C3'	O3'	95.0°	118.6°
C1'	C2'	C3'	H3'1	140.5°	118.7°
C1'	C2'	O2'	H2'2	180.0°	176.1°
O4'	C1'	C2'	O2'	153.2°	142.5°
O4'	C1'	C2'	C3'	33.7°	23.9°
C1'	O4'	C4'	C3'	25.8°	40.3°
C1'	O4'	C4'	C5'	149.1°	159.2°
C1'	O4'	C4'	H4'1	94.8°	78.6°
O4'	C1'	C2'	H2'1	81.8°	94.8°
O2'	C2'	C3'	H2'1	123.0°	122.5°
O2'	C2'	C3'	C4'	140.8°	118.6°
O2'	C2'	C3'	O3'	27.2°	0.0°
O2'	C2'	C3'	H3'1	97.2°	122.6°
O2'	C2'	C1'	H1'1	35.2°	23.8°
C2'	C3'	C4'	O4'	3.2°	23.9°
C2'	C3'	C4'	O3'	118.7°	118.6°
C2'	C3'	C4'	H3'1	121.9°	118.8°
C2'	C3'	O3'	H3'1	124.0°	122.8°
C2'	C3'	C4'	C5'	115.6°	142.8°
C2'	C3'	C4'	H4'1	117.8°	95.0°
C3'	C2'	O2'	H2'2	66.5°	61.5°
C3'	C2'	C1'	H1'1	84.3°	94.9°
C2'	C3'	O3'	H3'2	180.0°	65.4°
C12	C11	C10	H112	120.6°	120.1°
C12	C11	C10	H111	120.6°	120.0°
C12	C11	C10	ND	116.9°	180.0°
C12	C11	H112	H111	118.1°	120.0°
C12	C11	C10	H102	4.0°	60.0°
C12	C11	C10	H101	122.1°	60.0°
C11	C12	H122	H121	117.2°	120.0°
C11	C12	N12	H123	140.7°	0.0°
O4'	C4'	C3'	C5'	112.4°	118.9°
O4'	C4'	C3'	H4'1	121.0°	118.9°
O4'	C4'	C3'	O3'	121.9°	142.6°
O4'	C4'	C5'	H4'1	117.7°	122.2°
O4'	C4'	C5'	ND	178.4°	67.7°
O4'	C4'	C5'	H5'1	61.1°	52.3°
O4'	C4'	C5'	H5'2	57.9°	172.3°
O4'	C4'	C3'	H3'1	118.7°	94.9°
C4'	O4'	C1'	H1'1	79.4°	78.5°
N10	C14	N11	H113	0.0°	0.0°
N10	C14	N11	H4	180.0°	180.0°
N10	C14	N12	H123	179.7°	180.0°
C4'	C3'	O3'	H3'1	118.9°	122.6°
C3'	C4'	C5'	H4'1	127.3°	122.2°
C3'	C4'	C5'	ND	66.6°	176.8°
C3'	C4'	C5'	H5'1	53.9°	63.2°
C3'	C4'	C5'	H5'2	173.0°	56.8°
C4'	C3'	C2'	H2'1	96.2°	118.8°
C4'	C3'	O3'	H3'2	62.9°	180.0°
O3'	C3'	C4'	C5'	125.7°	98.5°
O3'	C3'	C4'	H4'1	0.9°	23.6°
O3'	C3'	C2'	H2'1	150.2°	122.5°
C4'	C5'	ND	H5'1	120.5°	120.0°
C4'	C5'	ND	H5'2	120.5°	120.0°
C4'	C5'	ND	C10	131.0°	75.6°
C4'	C5'	ND	CG	98.6°	160.4°
C4'	C5'	H5'1	H5'2	118.6°	120.0°
C5'	C4'	C3'	H3'1	6.4°	24.0°
C5'	ND	C10	C11	93.0°	170.0°
C5'	ND	C10	CG	128.1°	124.0°
C5'	ND	CG	CB	90.0°	72.4°
C5'	ND	C10	H102	28.0°	70.0°
C5'	ND	C10	H101	146.0°	50.0°
C5'	ND	CG	HG3	149.9°	167.6°
C5'	ND	CG	HG2	30.1°	47.7°
ND	C5'	H5'1	H5'2	118.6°	120.0°
ND	C5'	C4'	H4'1	60.7°	54.5°
C11	C10	ND	H102	120.9°	120.0°
C11	C10	ND	H101	121.0°	120.0°
C11	C10	ND	CG	35.2°	66.0°
C10	C11	H112	H111	118.0°	120.0°
C11	C10	H102	H101	117.0°	120.0°
C10	C11	C12	H122	144.1°	60.0°
C10	C11	C12	H121	25.9°	60.0°
C10	ND	CG	CB	143.6°	163.6°
ND	C10	C11	H112	122.4°	59.9°
ND	C10	C11	H111	3.7°	60.0°
ND	C10	H102	H101	117.0°	120.0°
C10	ND	CG	HG3	23.5°	43.6°
C10	ND	CG	HG2	96.3°	76.3°
C10	ND	C5'	H5'1	10.5°	164.4°
C10	ND	C5'	H5'2	108.5°	44.4°
ND	CG	CB	HG3	120.1°	120.0°
ND	CG	CB	HG2	120.1°	120.0°
ND	CG	CB	CA	167.7°	178.4°
CG	ND	C10	H102	156.1°	53.9°
CG	ND	C10	H101	85.8°	174.0°
ND	CG	HG3	HG2	119.7°	120.0°
ND	CG	CB	HB2	46.9°	58.3°
ND	CG	CB	HB3	71.4°	61.6°
CG	ND	C5'	H5'1	140.9°	40.4°
CG	ND	C5'	H5'2	21.8°	79.6°
CG	CB	CA	HB2	120.8°	120.0°
CG	CB	CA	HB3	120.8°	120.0°
CG	CB	CA	N	64.9°	64.8°
CG	CB	CA	C	54.3°	175.2°
CB	CG	HG3	HG2	119.7°	120.0°
CG	CB	HB2	HB3	117.4°	120.0°
CG	CB	CA	HA	174.1°	55.1°
CB	CA	N	C	124.5°	120.0°
CB	CA	N	HA	120.0°	119.9°
CB	CA	C	HA	119.4°	120.0°
CB	CA	C	O	109.3°	101.3°
CB	CA	C	OXT	72.2°	78.8°
CA	CB	CG	HG3	72.2°	61.6°
CA	CB	CG	HG2	47.6°	58.3°
CA	CB	HB2	HB3	117.4°	119.9°
CB	CA	N	H	180.0°	60.0°
CB	CA	N	H2	60.0°	63.9°
N	CA	C	HA	116.3°	120.0°
N	CA	C	O	15.0°	18.7°
N	CA	C	OXT	163.5°	161.2°
N	CA	CB	HB2	55.9°	175.1°
N	CA	CB	HB3	174.3°	55.2°
CA	N	H	H2	120.0°	124.0°
CA	C	O	OXT	178.4°	180.0°
C	CA	CB	HB2	175.1°	55.1°
C	CA	CB	HB3	66.5°	64.8°
C	CA	N	H	55.5°	60.0°
C	CA	N	H2	64.5°	176.1°
CA	C	OXT	H5	178.5°	175.0°
O	C	CA	HA	131.3°	138.7°
O	C	OXT	H5	0.0°	5.0°
OXT	C	CA	HA	47.2°	41.3°
H112	C11	C10	H102	116.6°	60.0°
H112	C11	C10	H101	1.5°	179.9°
H112	C11	C12	H122	95.3°	180.0°
H112	C11	C12	H121	146.5°	60.0°
H111	C11	C10	H102	124.6°	179.9°
H111	C11	C10	H101	117.3°	60.0°
H111	C11	C12	H122	23.5°	60.0°
H111	C11	C12	H121	94.7°	179.9°
H122	C12	N12	H123	98.4°	120.0°
H121	C12	N12	H123	19.8°	120.0°
HG3	CG	CB	HB2	167.0°	178.4°
HG3	CG	CB	HB3	48.7°	58.4°
HG2	CG	CB	HB2	73.2°	61.7°
HG2	CG	CB	HB3	168.5°	178.3°
HB2	CB	CA	HA	65.1°	64.9°
HB3	CB	CA	HA	53.3°	175.1°
HA	CA	N	H	60.0°	180.0°
HA	CA	N	H2	180.0°	56.0°
H5'1	C5'	C4'	H4'1	178.8°	174.6°
H5'2	C5'	C4'	H4'1	59.8°	65.4°
H4'1	C4'	C3'	H3'1	120.3°	146.2°
H3'1	C3'	C2'	H2'1	25.8°	0.1°
H3'1	C3'	O3'	H3'2	56.0°	57.4°
H2'1	C2'	O2'	H2'2	56.0°	61.1°
H2'1	C2'	C1'	H1'1	160.2°	146.4°

Release date:	2017-03-15
Definition date:	2016-03-16
Last modified:	2017-03-10
Release status:	REL
Processing site:	EBI
Derived from:	5ISE