DIX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CM	sing	1.47Å	1.45Å
N	C3	sing	1.47Å	1.46Å
N	HN	sing	1.01Å	1.02Å
CM	HM1	sing	1.09Å	1.12Å
CM	HM2	sing	1.09Å	1.11Å
CM	HM3	sing	1.09Å	1.11Å
C3	C2	sing	1.53Å	1.55Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.11Å
C2	C1	sing	1.53Å	1.51Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.11Å
C1	C1'	sing	1.53Å	1.49Å
C1	H11	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.12Å
C1'	C2'	sing	1.54Å	1.47Å
C1'	C5'	sing	1.54Å	1.50Å
C1'	H1'	sing	1.09Å	1.12Å
C2'	C3'	sing	1.54Å	1.49Å
C2'	H2'1	sing	1.09Å	1.12Å
C2'	H2'2	sing	1.09Å	1.12Å
C5'	C4'	sing	1.55Å	1.52Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	C3'	sing	1.55Å	1.48Å
C4'	H4'1	sing	1.09Å	1.11Å
C4'	H4'2	sing	1.09Å	1.11Å
C3'	H3'1	sing	1.09Å	1.12Å
C3'	H3'2	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CM	N	C3	113.7°	106.7°
CM	N	HN	110.7°	106.7°
N	CM	HM1	113.6°	109.6°
N	CM	HM2	110.6°	109.5°
N	CM	HM3	110.7°	109.4°
C3	N	HN	110.7°	106.7°
N	C3	C2	110.2°	109.5°
N	C3	H31	111.9°	109.5°
N	C3	H32	112.0°	109.4°
HM1	CM	HM2	110.7°	109.5°
HM1	CM	HM3	110.7°	109.4°
HM2	CM	HM3	99.7°	109.5°
C2	C3	H31	111.9°	109.5°
C2	C3	H32	112.0°	109.4°
C3	C2	C1	119.1°	109.5°
C3	C2	H21	108.8°	109.5°
C3	C2	H22	108.7°	109.5°
H31	C3	H32	98.5°	109.5°
C1	C2	H21	108.7°	109.5°
C1	C2	H22	108.7°	109.4°
C2	C1	C1'	110.6°	109.5°
C2	C1	H11	111.8°	109.5°
C2	C1	H12	111.8°	109.4°
H21	C2	H22	101.3°	109.4°
C1'	C1	H11	111.8°	109.5°
C1'	C1	H12	111.8°	109.4°
C1	C1'	C2'	117.0°	110.1°
C1	C1'	C5'	114.3°	110.1°
C1	C1'	H1'	99.3°	110.0°
H11	C1	H12	98.6°	109.5°
C2'	C1'	C5'	106.7°	106.6°
C2'	C1'	H1'	108.1°	110.0°
C1'	C2'	C3'	99.2°	106.6°
C1'	C2'	H2'1	116.2°	110.1°
C1'	C2'	H2'2	116.2°	110.0°
C5'	C1'	H1'	111.1°	110.0°
C1'	C5'	C4'	102.5°	104.2°
C1'	C5'	H5'1	114.8°	110.5°
C1'	C5'	H5'2	114.8°	110.5°
C3'	C2'	H2'1	116.2°	110.0°
C3'	C2'	H2'2	116.2°	110.1°
C2'	C3'	C4'	103.3°	104.2°
C2'	C3'	H3'1	114.5°	110.5°
C2'	C3'	H3'2	114.6°	110.4°
H2'1	C2'	H2'2	94.2°	110.0°
C4'	C5'	H5'1	114.9°	110.6°
C4'	C5'	H5'2	114.9°	110.4°
C5'	C4'	C3'	106.1°	102.7°
C5'	C4'	H4'1	113.5°	110.9°
C5'	C4'	H4'2	113.5°	110.7°
H5'1	C5'	H5'2	95.6°	110.6°
C3'	C4'	H4'1	113.5°	110.7°
C3'	C4'	H4'2	113.4°	110.7°
C4'	C3'	H3'1	114.6°	110.5°
C4'	C3'	H3'2	114.6°	110.5°
H4'1	C4'	H4'2	97.0°	110.8°
H3'1	C3'	H3'2	95.9°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CM	N	C3	HN	125.3°	113.8°
N	CM	HM1	HM2	125.2°	120.1°
N	CM	HM1	HM3	125.2°	120.0°
N	CM	HM2	HM3	116.5°	120.0°
CM	N	C3	C2	76.0°	180.0°
CM	N	C3	H31	158.8°	59.9°
CM	N	C3	H32	49.3°	60.1°
C3	N	CM	HM1	180.0°	179.9°
C3	N	CM	HM2	54.7°	60.0°
C3	N	CM	HM3	54.8°	60.0°
N	C3	C2	H31	125.2°	120.1°
N	C3	C2	H32	125.3°	119.9°
N	C3	H31	H32	117.9°	120.0°
N	C3	C2	C1	70.8°	180.0°
N	C3	C2	H21	164.0°	59.9°
N	C3	C2	H22	54.5°	60.0°
HN	N	CM	HM1	54.7°	66.2°
HN	N	CM	HM2	180.0°	53.8°
HN	N	CM	HM3	70.5°	173.8°
HN	N	C3	C2	158.7°	66.1°
HN	N	C3	H31	33.5°	173.8°
HN	N	C3	H32	76.0°	53.8°
HM1	CM	HM2	HM3	116.6°	119.9°
C2	C3	H31	H32	117.9°	119.9°
C3	C2	C1	H21	125.3°	120.0°
C3	C2	C1	H22	125.3°	120.0°
C3	C2	H21	H22	114.4°	120.0°
C3	C2	C1	C1'	176.7°	180.0°
C3	C2	C1	H11	51.4°	60.0°
C3	C2	C1	H12	58.1°	60.1°
H31	C3	C2	C1	54.5°	59.9°
H31	C3	C2	H21	70.8°	180.0°
H31	C3	C2	H22	179.7°	60.1°
H32	C3	C2	C1	163.9°	60.0°
H32	C3	C2	H21	38.7°	60.0°
H32	C3	C2	H22	70.8°	180.0°
C1	C2	H21	H22	114.4°	120.0°
C2	C1	C1'	H11	125.3°	120.1°
C2	C1	C1'	H12	125.3°	119.9°
C2	C1	H11	H12	117.7°	120.0°
C2	C1	C1'	C2'	176.4°	180.0°
C2	C1	C1'	C5'	50.6°	62.8°
C2	C1	C1'	H1'	67.8°	58.6°
H21	C2	C1	C1'	58.1°	59.9°
H21	C2	C1	H11	176.6°	180.0°
H21	C2	C1	H12	67.2°	60.0°
H22	C2	C1	C1'	51.4°	60.0°
H22	C2	C1	H11	73.9°	60.1°
H22	C2	C1	H12	176.7°	179.9°
C1'	C1	H11	H12	117.7°	119.9°
C1	C1'	C2'	C5'	129.5°	119.3°
C1	C1'	C2'	H1'	110.9°	121.4°
C1	C1'	C5'	H1'	111.4°	121.4°
C1	C1'	C2'	C3'	172.9°	119.4°
C1	C1'	C2'	H2'1	47.6°	121.3°
C1	C1'	C2'	H2'2	61.8°	0.0°
C1	C1'	C5'	C4'	154.9°	143.0°
C1	C1'	C5'	H5'1	79.8°	24.2°
C1	C1'	C5'	H5'2	29.6°	98.4°
H11	C1	C1'	C2'	51.1°	59.9°
H11	C1	C1'	C5'	74.7°	177.1°
H11	C1	C1'	H1'	166.9°	61.5°
H12	C1	C1'	C2'	58.4°	60.0°
H12	C1	C1'	C5'	175.9°	57.2°
H12	C1	C1'	H1'	57.5°	178.6°
C2'	C1'	C5'	H1'	117.6°	119.2°
C1'	C2'	C3'	H2'1	125.3°	119.3°
C1'	C2'	C3'	H2'2	125.3°	119.2°
C1'	C2'	H2'1	H2'2	121.9°	121.3°
C2'	C1'	C5'	C4'	24.0°	23.6°
C2'	C1'	C5'	H5'1	149.2°	95.1°
C2'	C1'	C5'	H5'2	101.3°	142.2°
C1'	C2'	C3'	C4'	45.8°	23.6°
C1'	C2'	C3'	H3'1	171.0°	142.4°
C1'	C2'	C3'	H3'2	79.5°	95.0°
C5'	C1'	C2'	C3'	43.4°	0.0°
C5'	C1'	C2'	H2'1	81.9°	119.3°
C5'	C1'	C2'	H2'2	168.7°	119.3°
C1'	C5'	C4'	H5'1	125.2°	118.7°
C1'	C5'	C4'	H5'2	125.2°	118.6°
C1'	C5'	H5'1	H5'2	120.7°	122.6°
C1'	C5'	C4'	C3'	5.4°	38.0°
C1'	C5'	C4'	H4'1	130.7°	80.3°
C1'	C5'	C4'	H4'2	119.8°	156.2°
H1'	C1'	C2'	C3'	76.2°	119.3°
H1'	C1'	C2'	H2'1	158.5°	0.0°
H1'	C1'	C2'	H2'2	49.1°	121.4°
H1'	C1'	C5'	C4'	93.7°	95.6°
H1'	C1'	C5'	H5'1	31.6°	145.6°
H1'	C1'	C5'	H5'2	141.1°	23.0°
C3'	C2'	H2'1	H2'2	122.0°	121.5°
C2'	C3'	C4'	C5'	32.2°	38.0°
C2'	C3'	C4'	H3'1	125.2°	118.7°
C2'	C3'	C4'	H3'2	125.3°	118.6°
C2'	C3'	C4'	H4'1	157.5°	80.4°
C2'	C3'	C4'	H4'2	93.1°	156.3°
C2'	C3'	H3'1	H3'2	120.4°	122.6°
H2'1	C2'	C3'	C4'	79.5°	95.7°
H2'1	C2'	C3'	H3'1	45.7°	23.0°
H2'1	C2'	C3'	H3'2	155.2°	145.6°
H2'2	C2'	C3'	C4'	171.1°	142.9°
H2'2	C2'	C3'	H3'1	63.7°	98.4°
H2'2	C2'	C3'	H3'2	45.8°	24.2°
C4'	C5'	H5'1	H5'2	120.8°	122.6°
C5'	C4'	C3'	H4'1	125.3°	118.4°
C5'	C4'	C3'	H4'2	125.3°	118.3°
C5'	C4'	H4'1	H4'2	119.4°	123.4°
C5'	C4'	C3'	H3'1	157.4°	156.7°
C5'	C4'	C3'	H3'2	93.1°	80.7°
H5'1	C5'	C4'	C3'	119.8°	80.7°
H5'1	C5'	C4'	H4'1	5.4°	161.0°
H5'1	C5'	C4'	H4'2	115.0°	37.5°
H5'2	C5'	C4'	C3'	130.7°	156.6°
H5'2	C5'	C4'	H4'1	104.1°	38.3°
H5'2	C5'	C4'	H4'2	5.5°	85.1°
C3'	C4'	H4'1	H4'2	119.3°	123.3°
C4'	C3'	H3'1	H3'2	120.5°	122.6°
H4'1	C4'	C3'	H3'1	77.3°	38.3°
H4'1	C4'	C3'	H3'2	32.2°	160.9°
H4'2	C4'	C3'	H3'1	32.2°	85.0°
H4'2	C4'	C3'	H3'2	141.7°	37.6°

Definition date:	1999-07-08
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI
Derived from:	1A1C