PH6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.23Å
C	CA	sing	1.51Å	1.52Å
C	OXT	sing	1.34Å	1.34Å
CA	CB	sing	1.54Å	1.52Å
CA	N	sing	1.49Å	1.47Å
CB	CG	sing	1.54Å	1.52Å
CG	CD	sing	1.54Å	1.51Å
CG	C1	sing	1.53Å	1.52Å
CD	N	sing	1.49Å	1.47Å
C1	C6	sing	1.53Å	1.53Å
C1	C2	sing	1.53Å	1.52Å
C6	C5	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.53Å
C4	C3	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.52Å
CA	HA	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
N	H	sing	1.01Å	1.00Å
CG	HG2	sing	1.09Å	1.10Å
CD	HD2	sing	1.09Å	1.10Å
CD	HD3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	119.3°	120.0°
O	C	OXT	121.1°	120.0°
CA	C	OXT	119.6°	119.9°
C	CA	CB	105.9°	110.4°
C	CA	N	111.4°	110.4°
C	CA	HA	112.7°	110.4°
C	OXT	HXT	109.5°	117.0°
CB	CA	N	99.5°	104.6°
CA	CB	CG	103.8°	105.1°
CB	CA	HA	112.8°	110.4°
CA	CB	HB2	110.9°	110.4°
CA	CB	HB3	110.9°	110.3°
CA	N	CD	113.3°	104.2°
N	CA	HA	113.5°	110.5°
CA	N	H	108.5°	111.0°
CB	CG	CD	101.3°	105.1°
CB	CG	C1	111.6°	110.3°
CG	CB	HB2	110.9°	110.3°
CG	CB	HB3	110.9°	110.3°
CB	CG	HG2	109.9°	110.4°
CD	CG	C1	113.7°	110.3°
CG	CD	N	102.7°	104.6°
CD	CG	HG2	110.1°	110.3°
CG	CD	HD2	111.1°	110.4°
CG	CD	HD3	111.1°	110.4°
CG	C1	C6	113.3°	109.5°
CG	C1	C2	109.1°	109.5°
C1	CG	HG2	110.0°	110.4°
CG	C1	H1	107.7°	109.5°
CD	N	H	108.5°	111.0°
N	CD	HD2	111.1°	110.4°
N	CD	HD3	111.1°	110.4°
C6	C1	C2	111.2°	109.5°
C1	C6	C5	112.5°	109.5°
C6	C1	H1	107.6°	109.5°
C1	C6	H61	108.7°	109.5°
C1	C6	H62	108.7°	109.5°
C1	C2	C3	110.1°	109.5°
C2	C1	H1	107.6°	109.5°
C1	C2	H21	109.3°	109.5°
C1	C2	H22	109.3°	109.4°
C6	C5	C4	110.9°	109.5°
C5	C6	H61	108.7°	109.5°
C5	C6	H62	108.7°	109.4°
C6	C5	H51	109.1°	109.4°
C6	C5	H52	109.1°	109.5°
C5	C4	C3	112.1°	109.5°
C4	C5	H51	109.1°	109.5°
C4	C5	H52	109.1°	109.5°
C5	C4	H41	108.8°	109.5°
C5	C4	H42	108.8°	109.5°
C4	C3	C2	110.9°	109.5°
C3	C4	H41	108.8°	109.4°
C3	C4	H42	108.8°	109.5°
C4	C3	H31	109.1°	109.5°
C4	C3	H32	109.1°	109.5°
C3	C2	H21	109.3°	109.5°
C3	C2	H22	109.3°	109.5°
C2	C3	H31	109.1°	109.5°
C2	C3	H32	109.1°	109.5°
HB2	CB	HB3	109.5°	110.3°
HD2	CD	HD3	109.4°	110.5°
H61	C6	H62	109.5°	109.4°
H21	C2	H22	109.4°	109.5°
H51	C5	H52	109.5°	109.5°
H41	C4	H42	109.5°	109.5°
H31	C3	H32	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	OXT	179.1°	179.7°
O	C	CA	CB	103.1°	100.0°
O	C	CA	N	4.2°	15.2°
O	C	CA	HA	133.1°	137.6°
O	C	OXT	HXT	0.0°	0.0°
C	CA	CB	N	115.6°	118.8°
C	CA	CB	HA	123.7°	122.4°
C	CA	N	HA	128.6°	122.4°
C	CA	CB	CG	78.2°	142.6°
C	CA	N	CD	93.9°	158.3°
CA	C	OXT	HXT	179.1°	179.7°
C	CA	CB	HB2	40.9°	23.7°
C	CA	CB	HB3	162.7°	98.5°
C	CA	N	H	145.5°	82.2°
OXT	C	CA	CB	76.0°	79.7°
OXT	C	CA	N	176.7°	165.1°
OXT	C	CA	HA	47.8°	42.7°
CB	CA	N	HA	120.1°	118.8°
CA	CB	CG	HB2	119.1°	118.9°
CA	CB	CG	HB3	119.1°	118.9°
CA	CB	CG	CD	44.6°	0.0°
CA	CB	CG	C1	165.8°	118.9°
CB	CA	N	CD	17.4°	39.5°
CA	CB	HB2	HB3	122.6°	122.2°
CB	CA	N	H	103.1°	159.0°
CA	CB	CG	HG2	71.9°	118.9°
N	CA	CB	CG	37.4°	23.8°
CA	N	CD	CG	9.6°	39.4°
CA	N	CD	H	120.6°	119.6°
N	CA	CB	HB2	156.6°	95.0°
N	CA	CB	HB3	81.7°	142.8°
CA	N	CD	HD2	128.5°	158.2°
CA	N	CD	HD3	109.3°	79.3°
CB	CG	CD	C1	119.8°	118.9°
CB	CG	CD	HG2	116.3°	118.9°
CB	CG	C1	HG2	122.2°	122.2°
CB	CG	CD	N	32.3°	23.8°
CB	CG	C1	C6	154.5°	180.0°
CB	CG	C1	C2	81.0°	60.0°
CG	CB	CA	HA	158.1°	95.1°
CG	CB	HB2	HB3	122.6°	122.1°
CB	CG	CD	HD2	151.2°	142.6°
CB	CG	CD	HD3	86.6°	94.9°
CB	CG	C1	H1	35.6°	60.0°
CD	CG	C1	HG2	124.0°	122.1°
CG	CD	N	HD2	118.9°	118.8°
CG	CD	N	HD3	118.9°	118.8°
CD	CG	C1	C6	40.7°	64.3°
CD	CG	C1	C2	165.3°	175.7°
CD	CG	CB	HB2	163.7°	118.9°
CD	CG	CB	HB3	74.5°	118.9°
CG	CD	N	H	130.2°	159.0°
CG	CD	HD2	HD3	123.1°	122.5°
CD	CG	C1	H1	78.2°	55.7°
C1	CG	CD	N	152.1°	142.7°
CG	C1	C6	C2	123.4°	120.0°
CG	C1	C6	H1	119.0°	120.0°
CG	C1	C2	H1	116.6°	120.0°
CG	C1	C6	C5	111.2°	180.0°
CG	C1	C2	C3	173.5°	180.0°
C1	CG	CB	HB2	75.1°	122.2°
C1	CG	CB	HB3	46.7°	0.0°
C1	CG	CD	HD2	89.0°	98.5°
C1	CG	CD	HD3	33.1°	24.0°
CG	C1	C6	H61	128.3°	60.0°
CG	C1	C6	H62	9.3°	60.0°
CG	C1	C2	H21	53.4°	60.0°
CG	C1	C2	H22	66.4°	60.0°
CD	N	CA	HA	137.5°	79.4°
N	CD	CG	HG2	84.0°	95.1°
N	CD	HD2	HD3	123.1°	122.4°
C6	C1	C2	H1	117.6°	120.0°
C1	C6	C5	H61	120.4°	120.0°
C1	C6	C5	H62	120.5°	120.0°
C1	C6	C5	C4	59.2°	60.0°
C6	C1	C2	C3	47.7°	60.0°
C6	C1	CG	HG2	83.3°	57.8°
C1	C6	H61	H62	118.6°	120.0°
C6	C1	C2	H21	72.4°	60.0°
C6	C1	C2	H22	167.8°	180.0°
C1	C6	C5	H51	179.4°	60.0°
C1	C6	C5	H52	61.0°	180.0°
C2	C1	C6	C5	12.2°	60.0°
C1	C2	C3	C4	63.9°	60.0°
C1	C2	C3	H21	120.1°	120.0°
C1	C2	C3	H22	120.1°	120.0°
C2	C1	CG	HG2	41.3°	62.2°
C2	C1	C6	H61	108.3°	180.0°
C2	C1	C6	H62	132.7°	60.0°
C1	C2	H21	H22	119.7°	119.9°
C1	C2	C3	H31	56.3°	60.0°
C1	C2	C3	H32	175.9°	180.0°
C6	C5	C4	H51	120.2°	120.0°
C6	C5	C4	H52	120.2°	120.0°
C6	C5	C4	C3	42.8°	60.0°
C5	C6	C1	H1	129.8°	60.0°
C5	C6	H61	H62	118.6°	120.0°
C6	C5	H51	H52	119.3°	120.0°
C6	C5	C4	H41	77.6°	180.0°
C6	C5	C4	H42	163.2°	60.0°
C5	C4	C3	H41	120.4°	120.0°
C5	C4	C3	H42	120.4°	120.0°
C5	C4	C3	C2	16.4°	60.0°
C4	C5	C6	H61	61.3°	180.0°
C4	C5	C6	H62	179.7°	60.0°
C4	C5	H51	H52	119.4°	120.0°
C5	C4	H41	H42	118.8°	120.0°
C5	C4	C3	H31	103.8°	60.0°
C5	C4	C3	H32	136.6°	180.0°
C4	C3	C2	H31	120.2°	120.0°
C4	C3	C2	H32	120.2°	120.0°
C4	C3	C2	H21	56.2°	60.0°
C4	C3	C2	H22	175.9°	180.0°
C3	C4	C5	H51	163.0°	60.0°
C3	C4	C5	H52	77.4°	180.0°
C3	C4	H41	H42	118.8°	120.0°
C4	C3	H31	H32	119.3°	120.0°
C3	C2	C1	H1	69.9°	60.0°
C3	C2	H21	H22	119.7°	120.0°
C2	C3	C4	H41	136.8°	180.0°
C2	C3	C4	H42	104.0°	60.0°
C2	C3	H31	H32	119.4°	120.0°
HA	CA	CB	HB2	82.8°	146.1°
HA	CA	CB	HB3	39.0°	23.9°
HA	CA	N	H	16.9°	40.2°
HB2	CB	CG	HG2	47.2°	0.0°
HB3	CB	CG	HG2	169.0°	122.2°
H	N	CD	HD2	110.9°	82.2°
H	N	CD	HD3	11.3°	40.3°
HG2	CG	CD	HD2	34.9°	23.7°
HG2	CG	CD	HD3	157.1°	146.2°
HG2	CG	C1	H1	157.8°	177.8°
H1	C1	C6	H61	9.4°	60.0°
H1	C1	C6	H62	109.7°	NaN°
H1	C1	C2	H21	170.0°	NaN°
H1	C1	C2	H22	50.2°	60.0°
H61	C6	C5	H51	58.9°	60.0°
H61	C6	C5	H52	178.5°	60.0°
H62	C6	C5	H51	60.1°	NaN°
H62	C6	C5	H52	59.4°	60.0°
H21	C2	C3	H31	176.4°	180.0°
H21	C2	C3	H32	64.0°	60.0°
H22	C2	C3	H31	63.9°	60.0°
H22	C2	C3	H32	55.8°	60.0°
H51	C5	C4	H41	42.7°	60.0°
H51	C5	C4	H42	76.6°	180.0°
H52	C5	C4	H41	162.2°	60.0°
H52	C5	C4	H42	43.0°	60.0°
H41	C4	C3	H31	16.6°	60.0°
H41	C4	C3	H32	103.0°	59.9°
H42	C4	C3	H31	135.8°	180.0°
H42	C4	C3	H32	16.3°	60.0°

Release date:	2015-06-03
Definition date:	2015-02-06
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI
Derived from:	5AH4