CMK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1C	C2C	sing	1.34Å	1.37Å	Aromatic
N1C	C6C	sing	1.36Å	1.39Å	Aromatic
N1C	C1'	sing	1.46Å	1.48Å
C2C	N3C	sing	1.33Å	1.46Å	Aromatic
C2C	O2C	doub	1.22Å	1.22Å
N3C	C4C	doub	1.33Å	1.30Å	Aromatic
C4C	C5C	sing	1.41Å	1.49Å	Aromatic
C4C	N4C	sing	1.38Å	1.31Å
C5C	C6C	doub	1.35Å	1.35Å	Aromatic
C5C	H5C	sing	1.08Å	1.10Å
C6C	H6C	sing	1.08Å	1.10Å
N4C	H4C1	sing	0.97Å	1.10Å
N4C	H4C2	sing	0.97Å	1.10Å
C1'	C2'	sing	1.54Å	1.55Å
C1'	O4'	sing	1.44Å	1.42Å
C1'	H1'	sing	1.09Å	1.11Å
C2'	O2'	sing	1.43Å	1.44Å
C2'	C3'	sing	1.55Å	1.53Å
C2'	H2'	sing	1.09Å	1.12Å
O2'	HA	sing	0.97Å	0.95Å
C3'	C4'	sing	1.54Å	1.55Å
C3'	O3'	sing	1.43Å	1.45Å
C3'	H3'	sing	1.09Å	1.11Å
C4'	O4'	sing	1.44Å	1.42Å
C4'	C5'	sing	1.53Å	1.54Å
C4'	H4'	sing	1.09Å	1.11Å
O3'	HB	sing	0.97Å	0.95Å
C5'	O5'	sing	1.43Å	1.42Å
C5'	H5'1	sing	1.09Å	1.12Å
C5'	H5'2	sing	1.09Å	1.12Å
O5'	PA	sing	1.61Å	1.59Å
PA	O1A	sing	1.61Å	1.50Å
PA	O2A	doub	1.48Å	1.50Å
PA	O2	sing	1.61Å	1.59Å
O1A	HO1A	sing	0.97Å	0.95Å
O6	C2	sing	1.43Å	1.46Å
O6	C6	sing	1.42Å	1.47Å
C2	O2	sing	1.43Å	1.43Å
C2	C3	sing	1.53Å	1.57Å
C2	C1	sing	1.51Å	1.55Å
C3	C4	sing	1.53Å	1.55Å
C3	H3C1	sing	1.09Å	1.12Å
C3	H3C2	sing	1.09Å	1.11Å
C4	O4	sing	1.43Å	1.43Å
C4	C5	sing	1.53Å	1.58Å
C4	H4	sing	1.09Å	1.11Å
O4	HC	sing	0.97Å	0.95Å
C5	C6	sing	1.53Å	1.57Å
C5	O5	sing	1.43Å	1.45Å
C5	H5	sing	1.09Å	1.12Å
C6	C7	sing	1.53Å	1.55Å
C6	H6	sing	1.09Å	1.11Å
C7	C8	sing	1.53Å	1.57Å
C7	O7	sing	1.43Å	1.44Å
C7	H7	sing	1.09Å	1.12Å
C1	O1X	sing	1.34Å	1.32Å
C1	O1Y	doub	1.21Å	1.22Å
O1X	H1X	sing	0.97Å	0.95Å
O5	HD	sing	0.97Å	0.95Å
C8	O8	sing	1.43Å	1.43Å
C8	H8C1	sing	1.09Å	1.11Å
C8	H8C2	sing	1.09Å	1.11Å
O8	H8	sing	0.97Å	0.95Å
O7	HE	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2C	N1C	C6C	119.0°	120.3°
C2C	N1C	C1'	120.0°	119.9°
N1C	C2C	N3C	119.6°	121.1°
N1C	C2C	O2C	123.4°	119.4°
C6C	N1C	C1'	121.1°	119.8°
N1C	C6C	C5C	121.8°	119.3°
N1C	C6C	H6C	119.1°	120.3°
N1C	C1'	C2'	115.1°	110.4°
N1C	C1'	O4'	112.1°	110.4°
N1C	C1'	H1'	108.6°	110.3°
N3C	C2C	O2C	117.0°	119.5°
C2C	N3C	C4C	122.6°	120.7°
N3C	C4C	C5C	116.9°	119.6°
N3C	C4C	N4C	122.6°	120.2°
C5C	C4C	N4C	120.5°	120.2°
C4C	C5C	C6C	120.2°	119.0°
C4C	C5C	H5C	119.9°	120.5°
C4C	N4C	H4C1	122.6°	120.0°
C4C	N4C	H4C2	120.5°	120.0°
C6C	C5C	H5C	119.9°	120.5°
C5C	C6C	H6C	119.1°	120.4°
H4C1	N4C	H4C2	116.9°	120.0°
C2'	C1'	O4'	103.6°	104.9°
C2'	C1'	H1'	108.6°	110.4°
C1'	C2'	O2'	110.0°	110.8°
C1'	C2'	C3'	103.2°	104.0°
C1'	C2'	H2'	109.6°	110.4°
O4'	C1'	H1'	108.6°	110.4°
C1'	O4'	C4'	110.9°	105.3°
O2'	C2'	C3'	114.5°	110.5°
O2'	C2'	H2'	109.7°	110.4°
C2'	O2'	HA	110.0°	106.8°
C3'	C2'	H2'	109.6°	110.5°
C2'	C3'	C4'	102.8°	104.1°
C2'	C3'	O3'	111.9°	110.6°
C2'	C3'	H3'	111.2°	110.6°
C4'	C3'	O3'	108.3°	110.5°
C4'	C3'	H3'	111.2°	110.5°
C3'	C4'	O4'	107.4°	104.8°
C3'	C4'	C5'	115.4°	110.5°
C3'	C4'	H4'	108.8°	110.4°
O3'	C3'	H3'	111.2°	110.4°
C3'	O3'	HB	111.9°	106.8°
O4'	C4'	C5'	107.3°	110.4°
O4'	C4'	H4'	108.9°	110.3°
C5'	C4'	H4'	108.9°	110.4°
C4'	C5'	O5'	112.9°	109.5°
C4'	C5'	H5'1	110.9°	109.5°
C4'	C5'	H5'2	110.9°	109.5°
O5'	C5'	H5'1	111.0°	109.4°
O5'	C5'	H5'2	110.9°	109.5°
C5'	O5'	PA	133.1°	106.7°
H5'1	C5'	H5'2	99.4°	109.5°
O5'	PA	O1A	113.2°	109.5°
O5'	PA	O2A	108.7°	109.5°
O5'	PA	O2	109.4°	109.4°
O1A	PA	O2A	108.5°	109.5°
O1A	PA	O2	108.1°	109.5°
PA	O1A	HO1A	113.2°	106.8°
O2A	PA	O2	108.9°	109.5°
PA	O2	C2	134.9°	106.7°
C2	O6	C6	115.4°	107.6°
O6	C2	O2	109.0°	109.5°
O6	C2	C3	110.4°	109.8°
O6	C2	C1	110.4°	109.3°
O6	C6	C5	109.6°	109.9°
O6	C6	C7	109.4°	109.4°
O6	C6	H6	108.8°	109.4°
O2	C2	C3	111.3°	109.4°
O2	C2	C1	101.2°	109.5°
C3	C2	C1	114.2°	109.4°
C2	C3	C4	109.4°	109.0°
C2	C3	H3C1	112.2°	109.5°
C2	C3	H3C2	112.2°	109.6°
C2	C1	O1X	115.9°	120.0°
C2	C1	O1Y	124.1°	120.0°
C4	C3	H3C1	112.2°	109.6°
C4	C3	H3C2	112.2°	109.5°
C3	C4	O4	108.7°	109.6°
C3	C4	C5	108.7°	108.7°
C3	C4	H4	109.2°	109.6°
H3C1	C3	H3C2	98.2°	109.6°
O4	C4	C5	111.8°	109.8°
O4	C4	H4	109.2°	109.6°
C4	O4	HC	108.7°	106.8°
C5	C4	H4	109.2°	109.6°
C4	C5	C6	107.7°	109.0°
C4	C5	O5	111.0°	109.6°
C4	C5	H5	109.6°	109.6°
C6	C5	O5	109.2°	109.6°
C6	C5	H5	109.6°	109.6°
C5	C6	C7	111.5°	109.4°
C5	C6	H6	108.8°	109.4°
O5	C5	H5	109.6°	109.5°
C5	O5	HD	109.2°	106.8°
C7	C6	H6	108.7°	109.4°
C6	C7	C8	112.0°	109.4°
C6	C7	O7	108.1°	109.5°
C6	C7	H7	109.1°	109.5°
C8	C7	O7	109.4°	109.4°
C8	C7	H7	109.1°	109.4°
C7	C8	O8	109.1°	109.5°
C7	C8	H8C1	112.3°	109.5°
C7	C8	H8C2	112.3°	109.5°
O7	C7	H7	109.1°	109.5°
C7	O7	HE	108.1°	106.9°
O1X	C1	O1Y	120.1°	119.9°
C1	O1X	H1X	115.9°	120.0°
O8	C8	H8C1	112.3°	109.5°
O8	C8	H8C2	112.3°	109.5°
C8	O8	H8	109.1°	106.8°
H8C1	C8	H8C2	98.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2C	N1C	C6C	C1'	179.5°	180.0°
N1C	C2C	N3C	O2C	179.9°	180.0°
N1C	C2C	N3C	C4C	0.1°	0.0°
C2C	N1C	C6C	C5C	0.1°	0.3°
C2C	N1C	C6C	H6C	179.9°	180.0°
C2C	N1C	C1'	C2'	129.6°	58.5°
C2C	N1C	C1'	O4'	112.4°	57.0°
C2C	N1C	C1'	H1'	7.6°	179.3°
C6C	N1C	C2C	N3C	0.1°	0.0°
C6C	N1C	C2C	O2C	179.9°	179.9°
N1C	C6C	C5C	C4C	0.2°	0.6°
N1C	C6C	C5C	H6C	180.0°	179.7°
N1C	C6C	C5C	H5C	179.8°	180.0°
C6C	N1C	C1'	C2'	51.0°	121.5°
C6C	N1C	C1'	O4'	67.0°	123.0°
C6C	N1C	C1'	H1'	172.9°	0.7°
C1'	N1C	C2C	N3C	179.4°	180.0°
C1'	N1C	C2C	O2C	0.4°	0.0°
C1'	N1C	C6C	C5C	179.5°	179.7°
C1'	N1C	C6C	H6C	0.4°	0.0°
N1C	C1'	C2'	O4'	122.7°	118.9°
N1C	C1'	C2'	H1'	122.0°	122.2°
N1C	C1'	O4'	H1'	120.0°	122.2°
N1C	C1'	C2'	O2'	79.9°	98.5°
N1C	C1'	C2'	C3'	157.6°	142.7°
N1C	C1'	C2'	H2'	40.8°	24.2°
N1C	C1'	O4'	C4'	154.6°	159.3°
C2C	N3C	C4C	C5C	0.0°	0.3°
C2C	N3C	C4C	N4C	179.9°	180.0°
O2C	C2C	N3C	C4C	180.0°	180.0°
N3C	C4C	C5C	N4C	179.9°	179.7°
N3C	C4C	C5C	C6C	0.1°	0.6°
N3C	C4C	C5C	H5C	179.9°	180.0°
N3C	C4C	N4C	H4C1	180.0°	0.1°
N3C	C4C	N4C	H4C2	0.1°	179.8°
C4C	C5C	C6C	H5C	180.0°	179.4°
C4C	C5C	C6C	H6C	179.8°	179.7°
C5C	C4C	N4C	H4C1	0.1°	179.7°
C5C	C4C	N4C	H4C2	180.0°	0.5°
N4C	C4C	C5C	C6C	179.8°	179.7°
N4C	C4C	C5C	H5C	0.3°	0.3°
C4C	N4C	H4C1	H4C2	179.9°	179.8°
H5C	C5C	C6C	H6C	0.2°	0.3°
C2'	C1'	O4'	H1'	115.3°	118.9°
C1'	C2'	O2'	C3'	115.7°	114.7°
C1'	C2'	O2'	H2'	120.6°	122.7°
C1'	C2'	C3'	H2'	116.8°	118.5°
C1'	C2'	O2'	HA	180.0°	176.2°
C1'	C2'	C3'	C4'	26.8°	0.2°
C1'	C2'	C3'	O3'	89.2°	118.8°
C1'	C2'	C3'	H3'	145.8°	118.5°
C2'	C1'	O4'	C4'	30.0°	40.4°
O4'	C1'	C2'	O2'	157.4°	142.6°
O4'	C1'	C2'	C3'	34.9°	23.8°
O4'	C1'	C2'	H2'	81.9°	94.8°
C1'	O4'	C4'	C3'	12.7°	40.5°
C1'	O4'	C4'	C5'	137.4°	159.4°
C1'	O4'	C4'	H4'	104.9°	78.3°
H1'	C1'	C2'	O2'	42.1°	23.7°
H1'	C1'	C2'	C3'	80.4°	95.0°
H1'	C1'	C2'	H2'	162.8°	146.4°
H1'	C1'	O4'	C4'	85.3°	78.4°
O2'	C2'	C3'	H2'	123.7°	122.5°
O2'	C2'	C3'	C4'	146.3°	118.8°
O2'	C2'	C3'	O3'	30.3°	0.1°
O2'	C2'	C3'	H3'	94.6°	122.5°
C3'	C2'	O2'	HA	64.3°	61.4°
C2'	C3'	C4'	O3'	118.6°	118.7°
C2'	C3'	C4'	H3'	119.0°	118.8°
C2'	C3'	O3'	H3'	124.9°	122.8°
C2'	C3'	C4'	O4'	10.1°	24.1°
C2'	C3'	C4'	C5'	109.5°	142.9°
C2'	C3'	C4'	H4'	127.8°	94.7°
C2'	C3'	O3'	HB	180.0°	65.3°
H2'	C2'	O2'	HA	59.4°	61.2°
H2'	C2'	C3'	C4'	89.9°	118.7°
H2'	C2'	C3'	O3'	154.0°	122.7°
H2'	C2'	C3'	H3'	29.1°	0.0°
C4'	C3'	O3'	H3'	122.4°	122.5°
C3'	C4'	O4'	C5'	124.6°	118.9°
C3'	C4'	O4'	H4'	117.7°	118.8°
C3'	C4'	C5'	H4'	122.6°	122.4°
C4'	C3'	O3'	HB	67.3°	180.0°
C3'	C4'	C5'	O5'	49.1°	176.9°
C3'	C4'	C5'	H5'1	76.2°	63.2°
C3'	C4'	C5'	H5'2	174.3°	56.9°
O3'	C3'	C4'	O4'	108.5°	142.8°
O3'	C3'	C4'	C5'	131.9°	98.3°
O3'	C3'	C4'	H4'	9.2°	24.0°
H3'	C3'	C4'	O4'	129.1°	94.7°
H3'	C3'	C4'	C5'	9.5°	24.1°
H3'	C3'	C4'	H4'	113.2°	146.5°
H3'	C3'	O3'	HB	55.1°	57.5°
O4'	C4'	C5'	H4'	117.7°	122.2°
O4'	C4'	C5'	O5'	70.6°	61.5°
O4'	C4'	C5'	H5'1	164.1°	178.6°
O4'	C4'	C5'	H5'2	54.6°	58.5°
C4'	C5'	O5'	H5'1	125.3°	120.0°
C4'	C5'	O5'	H5'2	125.2°	120.0°
C4'	C5'	H5'1	H5'2	116.8°	120.0°
C4'	C5'	O5'	PA	131.8°	180.0°
H4'	C4'	C5'	O5'	171.7°	60.8°
H4'	C4'	C5'	H5'1	46.4°	59.2°
H4'	C4'	C5'	H5'2	63.0°	179.3°
O5'	C5'	H5'1	H5'2	116.8°	120.0°
C5'	O5'	PA	O1A	67.8°	60.0°
C5'	O5'	PA	O2A	171.5°	60.1°
C5'	O5'	PA	O2	52.8°	180.0°
H5'1	C5'	O5'	PA	6.6°	60.0°
H5'2	C5'	O5'	PA	102.9°	60.0°
O5'	PA	O1A	O2A	120.7°	120.1°
O5'	PA	O1A	O2	121.4°	119.9°
O5'	PA	O2A	O2	119.1°	119.9°
O5'	PA	O1A	HO1A	180.0°	60.0°
O5'	PA	O2	C2	82.8°	173.7°
O1A	PA	O2A	O2	117.4°	120.0°
O1A	PA	O2	C2	153.5°	53.7°
O2A	PA	O1A	HO1A	59.3°	180.0°
O2A	PA	O2	C2	35.8°	66.4°
O2	PA	O1A	HO1A	58.6°	60.0°
PA	O2	C2	O6	162.8°	54.4°
PA	O2	C2	C3	40.8°	174.7°
PA	O2	C2	C1	80.8°	65.4°
O6	C2	O2	C3	122.0°	120.3°
O6	C2	O2	C1	116.4°	119.8°
O6	C2	C3	C1	125.1°	120.0°
O6	C2	C3	C4	55.7°	61.2°
O6	C2	C3	H3C1	69.6°	178.9°
O6	C2	C3	H3C2	179.1°	58.6°
C2	O6	C6	C5	59.0°	67.6°
C2	O6	C6	C7	178.5°	172.4°
C2	O6	C6	H6	59.9°	52.6°
O6	C2	C1	O1X	58.9°	31.2°
O6	C2	C1	O1Y	122.1°	148.8°
C6	O6	C2	O2	179.6°	172.4°
C6	O6	C2	C3	57.1°	67.6°
C6	O6	C2	C1	70.1°	52.5°
O6	C6	C5	C4	58.5°	61.2°
O6	C6	C5	C7	121.2°	120.1°
O6	C6	C5	H6	118.8°	120.1°
O6	C6	C5	O5	62.2°	58.7°
O6	C6	C5	H5	177.7°	178.8°
O6	C6	C7	H6	118.7°	119.8°
O6	C6	C7	C8	37.7°	59.7°
O6	C6	C7	O7	158.3°	179.6°
O6	C6	C7	H7	83.2°	60.3°
O2	C2	C3	C1	113.8°	119.9°
O2	C2	C3	C4	176.8°	178.7°
O2	C2	C3	H3C1	51.6°	58.8°
O2	C2	C3	H3C2	57.9°	61.5°
O2	C2	C1	O1X	56.4°	88.7°
O2	C2	C1	O1Y	122.6°	91.3°
C2	C3	C4	H3C1	125.3°	119.8°
C2	C3	C4	H3C2	125.3°	119.9°
C2	C3	H3C1	H3C2	118.2°	120.3°
C2	C3	C4	O4	179.5°	173.7°
C2	C3	C4	C5	58.6°	53.7°
C2	C3	C4	H4	60.4°	66.0°
C3	C2	C1	O1X	176.0°	151.5°
C3	C2	C1	O1Y	3.0°	28.6°
C1	C2	C3	C4	69.4°	58.8°
C1	C2	C3	H3C1	165.3°	61.1°
C1	C2	C3	H3C2	55.8°	178.6°
C2	C1	O1X	O1Y	179.0°	180.0°
C2	C1	O1X	H1X	180.0°	179.9°
C4	C3	H3C1	H3C2	118.1°	120.2°
C3	C4	O4	C5	119.9°	119.3°
C3	C4	O4	H4	119.1°	120.2°
C3	C4	C5	H4	119.1°	119.7°
C3	C4	O4	HC	180.0°	59.9°
C3	C4	C5	C6	60.0°	53.7°
C3	C4	C5	O5	59.6°	66.3°
C3	C4	C5	H5	179.2°	173.6°
H3C1	C3	C4	O4	55.2°	66.5°
H3C1	C3	C4	C5	66.6°	173.5°
H3C1	C3	C4	H4	174.3°	53.8°
H3C2	C3	C4	O4	54.2°	53.8°
H3C2	C3	C4	C5	176.1°	66.1°
H3C2	C3	C4	H4	64.9°	174.1°
O4	C4	C5	H4	121.0°	120.5°
O4	C4	C5	C6	179.9°	173.5°
O4	C4	C5	O5	60.4°	53.6°
O4	C4	C5	H5	60.8°	66.5°
C5	C4	O4	HC	60.1°	179.2°
C4	C5	C6	O5	120.6°	119.9°
C4	C5	C6	H5	119.2°	119.9°
C4	C5	O5	H5	121.2°	120.2°
C4	C5	C6	C7	179.7°	178.7°
C4	C5	C6	H6	60.4°	58.9°
C4	C5	O5	HD	61.4°	60.0°
H4	C4	O4	HC	60.9°	60.3°
H4	C4	C5	C6	59.1°	66.0°
H4	C4	C5	O5	178.6°	174.0°
H4	C4	C5	H5	60.1°	53.9°
C6	C5	O5	H5	120.1°	120.2°
C5	C6	C7	H6	120.0°	119.8°
C5	C6	C7	C8	159.0°	180.0°
C5	C6	C7	O7	80.4°	60.0°
C5	C6	C7	H7	38.2°	60.1°
C6	C5	O5	HD	180.0°	179.6°
O5	C5	C6	C7	59.1°	61.4°
O5	C5	C6	H6	179.0°	178.8°
H5	C5	C6	C7	61.1°	58.8°
H5	C5	C6	H6	58.9°	61.0°
H5	C5	O5	HD	59.9°	60.2°
C6	C7	C8	O7	119.8°	120.0°
C6	C7	C8	H7	120.8°	120.0°
C6	C7	O7	H7	118.5°	120.1°
C6	C7	C8	O8	48.4°	180.0°
C6	C7	C8	H8C1	76.8°	60.0°
C6	C7	C8	H8C2	173.7°	60.0°
C6	C7	O7	HE	180.0°	59.9°
H6	C6	C7	C8	81.0°	60.1°
H6	C6	C7	O7	39.6°	59.8°
H6	C6	C7	H7	158.2°	179.9°
C8	C7	O7	H7	119.3°	119.9°
C7	C8	O8	H8C1	125.2°	120.0°
C7	C8	O8	H8C2	125.3°	120.0°
C7	C8	H8C1	H8C2	118.3°	120.0°
C7	C8	O8	H8	180.0°	180.0°
C8	C7	O7	HE	57.8°	60.0°
O7	C7	C8	O8	71.4°	60.0°
O7	C7	C8	H8C1	163.3°	180.0°
O7	C7	C8	H8C2	53.8°	60.0°
H7	C7	C8	O8	169.3°	60.0°
H7	C7	C8	H8C1	44.0°	60.0°
H7	C7	C8	H8C2	65.5°	180.0°
H7	C7	O7	HE	61.5°	180.0°
O1Y	C1	O1X	H1X	1.0°	0.0°
O8	C8	H8C1	H8C2	118.3°	120.0°
H8C1	C8	O8	H8	54.7°	60.0°
H8C2	C8	O8	H8	54.8°	60.0°

Definition date:	2001-11-21
Last modified:	2020-06-17
Release status:	REL
Processing site:	EBI
Derived from:	1GQC