PCP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.54Å	1.53Å
C1	C5	sing	1.55Å	1.48Å
C1	O1	sing	1.43Å	1.50Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.54Å	1.56Å
C2	O2	sing	1.43Å	1.42Å
C2	H2	sing	1.09Å	1.12Å
C3	C4	sing	1.54Å	1.54Å
C3	O3	sing	1.43Å	1.42Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.55Å	1.49Å
C4	CP	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.12Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.12Å
CP	OP	sing	1.43Å	1.45Å
CP	HP1	sing	1.09Å	1.12Å
CP	HP2	sing	1.09Å	1.11Å
O1	PA	sing	1.61Å	1.56Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
OP	P	sing	1.61Å	1.61Å
P	O1P	doub	1.48Å	1.48Å
P	O2P	sing	1.61Å	1.48Å
P	O3P	sing	1.61Å	1.48Å
O2P	HOP2	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å
PA	O1A	doub	1.48Å	1.50Å
PA	O2A	sing	1.61Å	1.50Å
PA	O3A	sing	1.61Å	1.52Å
O2A	HOA2	sing	0.97Å	0.95Å
O3A	PB	sing	1.61Å	1.52Å
PB	O1B	doub	1.48Å	1.49Å
PB	O2B	sing	1.61Å	1.45Å
PB	O3B	sing	1.61Å	1.49Å
O2B	HOB2	sing	0.97Å	0.95Å
O3B	HOB3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C5	104.8°	104.2°
C2	C1	O1	110.6°	110.5°
C2	C1	H1	109.4°	110.5°
C1	C2	C3	104.3°	106.6°
C1	C2	O2	112.7°	110.1°
C1	C2	H2	112.1°	110.0°
C5	C1	O1	101.2°	110.6°
C5	C1	H1	117.7°	110.5°
C1	C5	C4	112.6°	102.8°
C1	C5	H51	111.1°	110.8°
C1	C5	H52	111.0°	110.8°
O1	C1	H1	112.6°	110.4°
C1	O1	PA	121.4°	106.9°
C3	C2	O2	113.1°	110.0°
C3	C2	H2	111.8°	110.1°
C2	C3	C4	104.6°	106.7°
C2	C3	O3	115.0°	110.0°
C2	C3	H3	108.9°	110.0°
O2	C2	H2	103.2°	110.0°
C2	O2	HO2	112.7°	106.8°
C4	C3	O3	108.6°	110.0°
C4	C3	H3	115.3°	110.0°
C3	C4	C5	101.6°	104.1°
C3	C4	CP	116.8°	110.7°
C3	C4	H4	111.9°	110.4°
O3	C3	H3	104.8°	110.0°
C3	O3	HO3	115.1°	106.8°
C5	C4	CP	114.5°	110.5°
C5	C4	H4	114.4°	110.4°
C4	C5	H51	111.0°	110.7°
C4	C5	H52	111.0°	110.7°
CP	C4	H4	98.3°	110.5°
C4	CP	OP	112.2°	109.5°
C4	CP	HP1	111.2°	109.5°
C4	CP	HP2	111.2°	109.5°
H51	C5	H52	99.3°	110.8°
OP	CP	HP1	111.2°	109.4°
OP	CP	HP2	111.2°	109.5°
CP	OP	P	123.0°	106.8°
HP1	CP	HP2	99.1°	109.5°
O1	PA	O1A	106.5°	109.5°
O1	PA	O2A	105.8°	109.4°
O1	PA	O3A	102.6°	109.5°
OP	P	O1P	106.5°	109.5°
OP	P	O2P	105.7°	109.5°
OP	P	O3P	105.4°	109.5°
O1P	P	O2P	112.7°	109.5°
O1P	P	O3P	112.8°	109.4°
O2P	P	O3P	113.0°	109.5°
P	O2P	HOP2	105.7°	106.8°
P	O3P	HOP3	105.4°	106.8°
O1A	PA	O2A	111.0°	109.5°
O1A	PA	O3A	114.7°	109.5°
O2A	PA	O3A	115.1°	109.4°
PA	O2A	HOA2	105.8°	106.8°
PA	O3A	PB	134.4°	106.8°
O3A	PB	O1B	112.1°	109.5°
O3A	PB	O2B	111.0°	109.5°
O3A	PB	O3B	111.6°	109.5°
O1B	PB	O2B	107.3°	109.4°
O1B	PB	O3B	107.9°	109.5°
O2B	PB	O3B	106.8°	109.5°
PB	O2B	HOB2	111.1°	106.8°
PB	O3B	HOB3	111.5°	106.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C5	O1	115.0°	118.8°
C2	C1	C5	H1	121.8°	118.7°
C2	C1	O1	H1	122.7°	122.5°
C1	C2	C3	O2	122.8°	119.4°
C1	C2	C3	H2	121.3°	119.3°
C1	C2	O2	H2	121.1°	121.4°
C1	C2	C3	C4	32.7°	0.0°
C1	C2	C3	O3	86.3°	119.3°
C1	C2	C3	H3	156.4°	119.3°
C2	C1	C5	C4	3.3°	37.9°
C2	C1	C5	H51	128.5°	80.4°
C2	C1	C5	H52	122.0°	156.2°
C2	C1	O1	PA	177.3°	121.4°
C1	C2	O2	HO2	180.0°	178.6°
C5	C1	O1	H1	126.6°	122.6°
C5	C1	C2	C3	18.2°	23.6°
C5	C1	C2	O2	141.3°	142.9°
C5	C1	C2	H2	102.9°	95.7°
C1	C5	C4	C3	23.4°	37.9°
C1	C5	C4	H51	125.3°	118.4°
C1	C5	C4	H52	125.3°	118.4°
C1	C5	C4	CP	103.4°	156.7°
C1	C5	C4	H4	144.2°	80.7°
C1	C5	H51	H52	117.0°	123.4°
C5	C1	O1	PA	72.0°	123.7°
O1	C1	C2	C3	90.0°	95.2°
O1	C1	C2	O2	33.0°	24.1°
O1	C1	C2	H2	148.9°	145.5°
O1	C1	C5	C4	118.3°	80.9°
O1	C1	C5	H51	116.5°	160.8°
O1	C1	C5	H52	7.0°	37.5°
C1	O1	PA	O1A	22.6°	59.9°
C1	O1	PA	O2A	95.6°	60.0°
C1	O1	PA	O3A	143.4°	180.0°
H1	C1	C2	C3	145.4°	142.3°
H1	C1	C2	O2	91.6°	98.4°
H1	C1	C2	H2	24.3°	23.0°
H1	C1	C5	C4	118.6°	156.6°
H1	C1	C5	H51	6.7°	38.3°
H1	C1	C5	H52	116.2°	85.1°
H1	C1	O1	PA	54.6°	1.2°
C3	C2	O2	H2	120.9°	121.4°
C2	C3	C4	O3	123.3°	119.3°
C2	C3	C4	H3	119.5°	119.3°
C2	C3	O3	H3	119.6°	121.4°
C2	C3	C4	C5	33.6°	23.5°
C2	C3	C4	CP	91.7°	142.3°
C2	C3	C4	H4	156.1°	95.0°
C3	C2	O2	HO2	62.0°	61.4°
C2	C3	O3	HO3	180.0°	62.1°
O2	C2	C3	C4	155.6°	119.4°
O2	C2	C3	O3	36.6°	0.0°
O2	C2	C3	H3	80.7°	121.3°
H2	C2	C3	C4	88.6°	119.2°
H2	C2	C3	O3	152.4°	121.4°
H2	C2	C3	H3	35.1°	0.0°
H2	C2	O2	HO2	58.9°	60.0°
C4	C3	O3	H3	123.7°	121.3°
C3	C4	C5	CP	126.8°	118.9°
C3	C4	C5	H4	120.8°	118.5°
C3	C4	CP	H4	119.8°	122.7°
C3	C4	C5	H51	148.7°	80.5°
C3	C4	C5	H52	101.9°	156.2°
C3	C4	CP	OP	168.0°	176.3°
C3	C4	CP	HP1	66.7°	63.8°
C3	C4	CP	HP2	42.7°	56.3°
C4	C3	O3	HO3	63.3°	179.3°
O3	C3	C4	C5	89.7°	142.9°
O3	C3	C4	CP	145.0°	98.4°
O3	C3	C4	H4	32.8°	24.3°
H3	C3	C4	C5	153.1°	95.8°
H3	C3	C4	CP	27.8°	23.0°
H3	C3	C4	H4	84.4°	145.7°
H3	C3	O3	HO3	60.4°	59.3°
C5	C4	CP	H4	121.7°	122.5°
C4	C5	H51	H52	116.9°	123.2°
C5	C4	CP	OP	49.5°	61.5°
C5	C4	CP	HP1	174.7°	178.5°
C5	C4	CP	HP2	75.8°	58.5°
CP	C4	C5	H51	21.8°	38.4°
CP	C4	C5	H52	131.3°	84.9°
C4	CP	OP	HP1	125.2°	120.0°
C4	CP	OP	HP2	125.3°	120.0°
C4	CP	HP1	HP2	117.0°	120.0°
C4	CP	OP	P	129.4°	179.9°
H4	C4	C5	H51	90.5°	160.9°
H4	C4	C5	H52	18.9°	37.7°
H4	C4	CP	OP	72.2°	61.0°
H4	C4	CP	HP1	53.1°	58.9°
H4	C4	CP	HP2	162.5°	178.9°
OP	CP	HP1	HP2	117.1°	120.0°
CP	OP	P	O1P	24.6°	60.0°
CP	OP	P	O2P	95.5°	180.0°
CP	OP	P	O3P	144.7°	60.0°
HP1	CP	OP	P	4.2°	60.0°
HP2	CP	OP	P	105.3°	60.0°
O1	PA	O1A	O2A	114.7°	119.9°
O1	PA	O1A	O3A	112.7°	120.1°
O1	PA	O2A	O3A	112.5°	120.0°
O1	PA	O2A	HOA2	180.0°	60.0°
O1	PA	O3A	PB	25.7°	179.9°
OP	P	O1P	O2P	115.4°	120.0°
OP	P	O1P	O3P	115.2°	120.0°
OP	P	O2P	O3P	114.8°	120.0°
OP	P	O2P	HOP2	180.0°	180.0°
OP	P	O3P	HOP3	180.0°	60.0°
O1P	P	O2P	O3P	129.4°	120.0°
O1P	P	O2P	HOP2	64.1°	60.0°
O1P	P	O3P	HOP3	64.2°	180.0°
O2P	P	O3P	HOP3	65.1°	60.0°
O3P	P	O2P	HOP2	65.3°	60.0°
O1A	PA	O2A	O3A	132.4°	120.0°
O1A	PA	O2A	HOA2	64.9°	180.0°
O1A	PA	O3A	PB	140.7°	60.0°
O2A	PA	O3A	PB	88.6°	60.0°
O3A	PA	O2A	HOA2	67.5°	60.0°
PA	O3A	PB	O1B	96.4°	60.0°
PA	O3A	PB	O2B	23.5°	180.0°
PA	O3A	PB	O3B	142.5°	60.0°
O3A	PB	O1B	O2B	122.1°	120.0°
O3A	PB	O1B	O3B	123.2°	120.0°
O3A	PB	O2B	O3B	121.8°	120.0°
O3A	PB	O2B	HOB2	179.9°	180.0°
O3A	PB	O3B	HOB3	180.0°	60.0°
O1B	PB	O2B	O3B	115.4°	120.0°
O1B	PB	O2B	HOB2	57.2°	60.0°
O1B	PB	O3B	HOB3	56.5°	180.0°
O2B	PB	O3B	HOB3	58.5°	60.0°
O3B	PB	O2B	HOB2	58.2°	60.0°

Definition date:	1999-07-08
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1A96,1A95