HTF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	sing	1.53Å	1.53Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C7	C6	sing	1.53Å	1.53Å
C7	H72	sing	1.09Å	1.10Å
C7	H73	sing	1.09Å	1.10Å
C6	C5	sing	1.53Å	1.54Å
C6	H62	sing	1.09Å	1.10Å
C6	H63	sing	1.09Å	1.10Å
C5	C4	sing	1.53Å	1.54Å
C5	H52	sing	1.09Å	1.10Å
C5	H53	sing	1.09Å	1.10Å
C4	C3	sing	1.53Å	1.54Å
C4	H42	sing	1.09Å	1.10Å
C4	H43	sing	1.09Å	1.10Å
C3	C2	sing	1.53Å	1.55Å
C3	H32	sing	1.09Å	1.10Å
C3	H33	sing	1.09Å	1.10Å
C2	C1	sing	1.51Å	1.53Å
C2	H22	sing	1.09Å	1.10Å
C2	H23	sing	1.09Å	1.10Å
C1	O1	doub	1.21Å	1.23Å
C1	N	sing	1.35Å	1.33Å
N	CA	sing	1.46Å	1.47Å
N	HN	sing	0.97Å	1.00Å
CA	C	sing	1.52Å	1.53Å
CA	CB	sing	1.54Å	1.53Å
CA	HA	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.23Å
C	OD	sing	1.35Å	1.32Å
OD	CG	sing	1.46Å	1.41Å
CG	CB	sing	1.54Å	1.53Å
CG	HG2	sing	1.09Å	1.10Å
CG	HG3	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	H81	109.4°	109.5°
C7	C8	H82	109.5°	109.5°
C7	C8	H83	109.5°	109.5°
C8	C7	C6	111.5°	109.5°
C8	C7	H72	108.4°	109.5°
C8	C7	H73	108.8°	109.5°
H81	C8	H82	109.4°	109.5°
H81	C8	H83	109.5°	109.4°
H82	C8	H83	109.5°	109.5°
C6	C7	H72	108.4°	109.5°
C6	C7	H73	108.8°	109.5°
C7	C6	C5	111.6°	109.4°
C7	C6	H62	108.3°	109.5°
C7	C6	H63	108.7°	109.5°
H72	C7	H73	111.0°	109.5°
C5	C6	H62	108.3°	109.5°
C5	C6	H63	108.8°	109.4°
C6	C5	C4	115.6°	109.4°
C6	C5	H52	106.1°	109.5°
C6	C5	H53	107.5°	109.5°
H62	C6	H63	111.1°	109.5°
C4	C5	H52	106.1°	109.5°
C4	C5	H53	107.5°	109.5°
C5	C4	C3	113.9°	109.4°
C5	C4	H42	107.0°	109.5°
C5	C4	H43	108.0°	109.5°
H52	C5	H53	114.4°	109.5°
C3	C4	H42	107.0°	109.5°
C3	C4	H43	108.0°	109.5°
C4	C3	C2	114.9°	109.5°
C4	C3	H32	106.5°	109.5°
C4	C3	H33	107.7°	109.5°
H42	C4	H43	113.0°	109.4°
C2	C3	H32	106.5°	109.5°
C2	C3	H33	107.7°	109.4°
C3	C2	C1	115.8°	109.5°
C3	C2	H22	106.0°	109.5°
C3	C2	H23	107.4°	109.4°
H32	C3	H33	113.8°	109.5°
C1	C2	H22	106.0°	109.5°
C1	C2	H23	107.4°	109.5°
C2	C1	O1	120.4°	120.0°
C2	C1	N	117.2°	120.0°
H22	C2	H23	114.5°	109.5°
O1	C1	N	122.3°	120.0°
C1	N	CA	128.1°	120.0°
C1	N	HN	116.0°	120.0°
CA	N	HN	115.9°	120.0°
N	CA	C	113.5°	110.4°
N	CA	CB	109.5°	110.4°
N	CA	HA	104.6°	110.4°
C	CA	CB	101.8°	104.7°
C	CA	HA	111.9°	110.4°
CA	C	O	122.7°	126.0°
CA	C	OD	111.4°	108.0°
CB	CA	HA	115.8°	110.4°
CA	CB	CG	103.1°	103.1°
CA	CB	HB2	113.0°	110.7°
CA	CB	HB3	111.7°	110.7°
O	C	OD	125.8°	126.0°
C	OD	CG	111.4°	108.5°
OD	CG	CB	106.2°	105.1°
OD	CG	HG2	111.3°	110.3°
OD	CG	HG3	110.6°	110.3°
CB	CG	HG2	111.3°	110.3°
CB	CG	HG3	110.6°	110.4°
CG	CB	HB2	113.0°	110.7°
CG	CB	HB3	111.6°	110.7°
HG2	CG	HG3	106.9°	110.4°
HB2	CB	HB3	104.7°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.0°
C7	C8	H82	H83	120.0°	120.0°
C8	C7	C6	H72	119.2°	120.0°
C8	C7	C6	H73	120.0°	120.0°
C8	C7	H72	H73	119.5°	120.0°
C8	C7	C6	C5	174.8°	180.0°
C8	C7	C6	H62	66.1°	60.0°
C8	C7	C6	H63	54.8°	60.1°
H81	C8	H82	H83	120.0°	120.0°
H81	C8	C7	C6	120.9°	60.0°
H81	C8	C7	H72	1.8°	60.0°
H81	C8	C7	H73	119.1°	180.0°
H82	C8	C7	C6	1.0°	60.0°
H82	C8	C7	H72	118.2°	180.0°
H82	C8	C7	H73	120.9°	60.0°
H83	C8	C7	C6	119.1°	180.0°
H83	C8	C7	H72	121.8°	60.0°
H83	C8	C7	H73	0.9°	60.0°
C6	C7	H72	H73	119.4°	120.0°
C7	C6	C5	H62	119.1°	120.0°
C7	C6	C5	H63	120.0°	120.0°
C7	C6	H62	H63	119.4°	120.0°
C7	C6	C5	C4	74.2°	180.0°
C7	C6	C5	H52	168.5°	60.0°
C7	C6	C5	H53	45.8°	60.0°
H72	C7	C6	C5	55.6°	60.0°
H72	C7	C6	H62	174.7°	180.0°
H72	C7	C6	H63	64.4°	60.0°
H73	C7	C6	C5	65.2°	60.0°
H73	C7	C6	H62	53.9°	60.0°
H73	C7	C6	H63	174.8°	180.0°
C5	C6	H62	H63	119.4°	120.0°
C6	C5	C4	H52	117.2°	120.0°
C6	C5	C4	H53	120.0°	120.0°
C6	C5	H52	H53	118.3°	120.0°
C6	C5	C4	C3	63.4°	180.0°
C6	C5	C4	H42	178.6°	60.0°
C6	C5	C4	H43	56.6°	59.9°
H62	C6	C5	C4	44.9°	60.0°
H62	C6	C5	H52	72.4°	180.0°
H62	C6	C5	H53	164.9°	60.0°
H63	C6	C5	C4	165.8°	60.0°
H63	C6	C5	H52	48.5°	60.0°
H63	C6	C5	H53	74.2°	180.0°
C4	C5	H52	H53	118.3°	120.0°
C5	C4	C3	H42	118.0°	120.0°
C5	C4	C3	H43	120.0°	120.0°
C5	C4	H42	H43	118.8°	120.0°
C5	C4	C3	C2	125.2°	179.9°
C5	C4	C3	H32	117.2°	60.0°
C5	C4	C3	H33	5.2°	60.0°
H52	C5	C4	C3	53.8°	60.0°
H52	C5	C4	H42	64.2°	180.0°
H52	C5	C4	H43	173.8°	60.0°
H53	C5	C4	C3	176.6°	60.0°
H53	C5	C4	H42	58.6°	60.0°
H53	C5	C4	H43	63.4°	180.0°
C3	C4	H42	H43	118.8°	120.0°
C4	C3	C2	H32	117.6°	120.0°
C4	C3	C2	H33	120.0°	120.0°
C4	C3	H32	H33	118.5°	120.0°
C4	C3	C2	C1	72.1°	180.0°
C4	C3	C2	H22	45.0°	60.0°
C4	C3	C2	H23	167.9°	60.0°
H42	C4	C3	C2	7.2°	60.0°
H42	C4	C3	H32	124.8°	180.0°
H42	C4	C3	H33	112.8°	60.0°
H43	C4	C3	C2	114.8°	60.0°
H43	C4	C3	H32	2.8°	60.0°
H43	C4	C3	H33	125.2°	180.0°
C2	C3	H32	H33	118.5°	120.0°
C3	C2	C1	H22	117.1°	120.0°
C3	C2	C1	H23	120.0°	119.9°
C3	C2	H22	H23	118.2°	120.0°
C3	C2	C1	O1	169.4°	0.1°
C3	C2	C1	N	12.9°	180.0°
H32	C3	C2	C1	170.3°	60.0°
H32	C3	C2	H22	72.5°	180.0°
H32	C3	C2	H23	50.3°	60.0°
H33	C3	C2	C1	47.9°	60.1°
H33	C3	C2	H22	165.0°	60.0°
H33	C3	C2	H23	72.1°	180.0°
C1	C2	H22	H23	118.2°	120.0°
C2	C1	O1	N	177.6°	180.0°
C2	C1	N	CA	173.8°	179.9°
C2	C1	N	HN	6.3°	0.0°
H22	C2	C1	O1	73.5°	120.0°
H22	C2	C1	N	104.3°	60.0°
H23	C2	C1	O1	49.4°	120.0°
H23	C2	C1	N	132.9°	60.0°
O1	C1	N	CA	3.9°	0.0°
O1	C1	N	HN	176.1°	180.0°
C1	N	CA	HN	180.0°	180.0°
C1	N	CA	C	133.4°	88.1°
C1	N	CA	CB	113.5°	156.7°
C1	N	CA	HA	11.1°	34.3°
N	CA	C	CB	117.6°	118.8°
N	CA	C	HA	118.1°	122.4°
N	CA	CB	HA	117.9°	122.4°
N	CA	C	O	47.6°	40.8°
N	CA	C	OD	128.9°	139.1°
N	CA	CB	CG	141.5°	119.1°
N	CA	CB	HB2	19.2°	122.5°
N	CA	CB	HB3	98.4°	0.7°
HN	N	CA	C	46.6°	92.0°
HN	N	CA	CB	66.5°	23.3°
HN	N	CA	HA	168.9°	145.7°
C	CA	CB	HA	121.7°	118.8°
CA	C	O	OD	176.0°	179.8°
CA	C	OD	CG	4.7°	33.2°
C	CA	CB	CG	21.1°	0.3°
C	CA	CB	HB2	101.2°	118.7°
C	CA	CB	HB3	141.1°	118.1°
CB	CA	C	O	165.2°	159.6°
CB	CA	C	OD	11.4°	20.2°
CA	CB	CG	OD	24.9°	17.8°
CA	CB	CG	HB2	122.3°	118.4°
CA	CB	CG	HB3	120.0°	118.4°
CA	CB	CG	HG2	96.4°	136.7°
CA	CB	CG	HG3	144.9°	101.0°
CA	CB	HB2	HB3	121.7°	123.2°
HA	CA	C	O	70.5°	81.6°
HA	CA	C	OD	112.9°	98.6°
HA	CA	CB	CG	100.5°	118.5°
HA	CA	CB	HB2	137.1°	0.1°
HA	CA	CB	HB3	19.5°	123.1°
O	C	OD	CG	178.9°	146.6°
C	OD	CG	CB	19.0°	32.4°
C	OD	CG	HG2	102.3°	151.3°
C	OD	CG	HG3	139.0°	86.5°
OD	CG	CB	HG2	121.3°	118.9°
OD	CG	CB	HG3	120.0°	118.9°
OD	CG	HG2	HG3	120.9°	122.2°
OD	CG	CB	HB2	97.4°	100.6°
OD	CG	CB	HB3	144.9°	136.2°
CB	CG	HG2	HG3	120.9°	122.2°
CG	CB	HB2	HB3	121.7°	123.2°
HG2	CG	CB	HB2	141.3°	18.3°
HG2	CG	CB	HB3	23.6°	104.9°
HG3	CG	CB	HB2	22.6°	140.5°
HG3	CG	CB	HB3	95.1°	17.3°

Definition date:	2005-09-14
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2AVX