PL3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.42Å	1.23Å
C1	C2	sing	1.52Å	1.50Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.52Å
C4	C5	sing	1.53Å	1.51Å
C5	C6	sing	1.53Å	1.51Å
C6	C7	sing	1.53Å	1.52Å
C7	C8	sing	1.53Å	1.51Å
C8	C9	sing	1.53Å	1.52Å
C9	CA	sing	1.53Å	1.51Å
CA	CB	sing	1.53Å	1.51Å
CB	CC	sing	1.53Å	1.52Å
CC	CD	sing	1.53Å	1.52Å
CD	CE	sing	1.53Å	1.53Å
CE	CF	sing	1.53Å	1.52Å
CF	CG	sing	1.52Å	1.51Å
C1	H1C1	sing	1.09Å	1.10Å
C1	H1C2	sing	1.09Å	1.10Å
C2	H2C1	sing	1.10Å	1.10Å
C2	H2C2	sing	1.10Å	1.10Å
C3	H3C1	sing	1.10Å	1.10Å
C3	H3C2	sing	1.10Å	1.10Å
C4	H4C1	sing	1.10Å	1.10Å
C4	H4C2	sing	1.10Å	1.10Å
C5	H5C1	sing	1.10Å	1.10Å
C5	H5C2	sing	1.10Å	1.10Å
C6	H6C1	sing	1.10Å	1.10Å
C6	H6C2	sing	1.10Å	1.10Å
C7	H7C1	sing	1.10Å	1.10Å
C7	H7C2	sing	1.10Å	1.10Å
C8	H8C1	sing	1.10Å	1.10Å
C8	H8C2	sing	1.10Å	1.10Å
C9	H9C1	sing	1.10Å	1.10Å
C9	H9C2	sing	1.10Å	1.10Å
CA	HAC1	sing	1.10Å	1.10Å
CA	HAC2	sing	1.10Å	1.10Å
CB	HBC1	sing	1.10Å	1.10Å
CB	HBC2	sing	1.10Å	1.10Å
CC	HCC1	sing	1.10Å	1.10Å
CC	HCC2	sing	1.10Å	1.10Å
CD	HDC1	sing	1.10Å	1.10Å
CD	HDC2	sing	1.10Å	1.10Å
CE	HEC1	sing	1.10Å	1.10Å
CE	HEC2	sing	1.10Å	1.10Å
CF	HFC1	sing	1.10Å	1.10Å
CF	HFC2	sing	1.10Å	1.10Å
CG	HGC1	sing	1.09Å	1.10Å
CG	HGC2	sing	1.09Å	1.10Å
CG	HGC3	sing	1.09Å	1.10Å
O1	HO	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	119.7°	110.0°
O1	C1	H1C1	106.2°	108.8°
O1	C1	H1C2	103.8°	108.3°
C1	O1	HO	109.5°	106.8°
C1	C2	C3	110.2°	112.3°
C2	C1	H1C1	106.2°	111.0°
C2	C1	H1C2	103.8°	110.0°
C1	C2	H2C1	109.2°	109.1°
C1	C2	H2C2	109.1°	109.3°
C2	C3	C4	111.0°	111.3°
C3	C2	H2C1	109.3°	109.6°
C3	C2	H2C2	109.1°	108.8°
C2	C3	H3C1	109.0°	109.5°
C2	C3	H3C2	108.6°	109.9°
C3	C4	C5	110.1°	111.4°
C4	C3	H3C1	109.0°	109.5°
C4	C3	H3C2	108.6°	109.4°
C3	C4	H4C1	109.3°	109.5°
C3	C4	H4C2	109.1°	109.5°
C4	C5	C6	109.2°	111.3°
C5	C4	H4C1	109.3°	109.6°
C5	C4	H4C2	109.1°	109.6°
C4	C5	H5C1	109.5°	109.6°
C4	C5	H5C2	109.6°	109.6°
C5	C6	C7	109.3°	111.2°
C6	C5	H5C1	109.5°	109.6°
C6	C5	H5C2	109.6°	109.5°
C5	C6	H6C1	109.5°	109.0°
C5	C6	H6C2	109.5°	109.6°
C6	C7	C8	110.7°	113.5°
C7	C6	H6C1	109.5°	110.1°
C7	C6	H6C2	109.5°	109.6°
C6	C7	H7C1	109.1°	109.8°
C6	C7	H7C2	108.8°	108.9°
C7	C8	C9	107.9°	113.3°
C8	C7	H7C1	109.1°	109.6°
C8	C7	H7C2	108.8°	108.0°
C7	C8	H8C1	110.0°	109.6°
C7	C8	H8C2	110.3°	107.5°
C8	C9	CA	113.4°	113.4°
C9	C8	H8C1	110.0°	109.8°
C9	C8	H8C2	110.3°	109.5°
C8	C9	H9C1	108.2°	109.6°
C8	C9	H9C2	107.3°	109.8°
C9	CA	CB	108.8°	115.9°
CA	C9	H9C1	108.2°	107.3°
CA	C9	H9C2	107.3°	110.1°
C9	CA	HAC1	109.7°	108.5°
C9	CA	HAC2	109.8°	108.8°
CA	CB	CC	110.3°	115.7°
CB	CA	HAC1	109.7°	109.2°
CB	CA	HAC2	109.8°	108.2°
CA	CB	HBC1	109.2°	108.4°
CA	CB	HBC2	109.0°	109.3°
CB	CC	CD	111.2°	115.7°
CC	CB	HBC1	109.2°	109.3°
CC	CB	HBC2	109.0°	108.4°
CB	CC	HCC1	108.9°	109.3°
CB	CC	HCC2	108.5°	108.2°
CC	CD	CE	111.7°	113.5°
CD	CC	HCC1	108.9°	108.5°
CD	CC	HCC2	108.5°	108.8°
CC	CD	HDC1	108.7°	110.1°
CC	CD	HDC2	108.2°	107.9°
CD	CE	CF	108.6°	111.2°
CE	CD	HDC1	108.8°	109.8°
CE	CD	HDC2	108.2°	109.0°
CD	CE	HEC1	109.7°	110.1°
CD	CE	HEC2	109.9°	109.6°
CE	CF	CG	111.9°	111.5°
CF	CE	HEC1	109.8°	109.0°
CF	CE	HEC2	109.9°	109.5°
CE	CF	HFC1	108.7°	109.8°
CE	CF	HFC2	108.1°	109.9°
CG	CF	HFC1	108.7°	109.2°
CG	CF	HFC2	108.1°	109.1°
CF	CG	HGC1	109.5°	110.2°
CF	CG	HGC2	109.5°	111.0°
CF	CG	HGC3	109.5°	111.0°
H1C1	C1	H1C2	117.8°	108.7°
H2C1	C2	H2C2	110.0°	107.7°
H3C1	C3	H3C2	110.7°	107.1°
H4C1	C4	H4C2	109.9°	107.1°
H5C1	C5	H5C2	109.3°	107.2°
H6C1	C6	H6C2	109.4°	107.3°
H7C1	C7	H7C2	110.4°	106.7°
H8C1	C8	H8C2	108.3°	106.9°
H9C1	C9	H9C2	112.6°	106.3°
HAC1	CA	HAC2	109.0°	105.9°
HBC1	CB	HBC2	110.1°	105.3°
HCC1	CC	HCC2	110.8°	105.9°
HDC1	CD	HDC2	111.2°	106.3°
HEC1	CE	HEC2	108.8°	107.3°
HFC1	CF	HFC2	111.4°	107.2°
HGC1	CG	HGC2	109.4°	108.1°
HGC1	CG	HGC3	109.5°	108.1°
HGC2	CG	HGC3	109.5°	108.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H1C1	120.0°	120.5°
O1	C1	C2	H1C2	115.1°	119.2°
O1	C1	C2	C3	42.0°	179.5°
O1	C1	H1C1	H1C2	115.8°	117.7°
O1	C1	C2	H2C1	162.0°	57.8°
O1	C1	C2	H2C2	77.8°	59.7°
C1	C2	C3	H2C1	120.0°	121.4°
C1	C2	C3	H2C2	119.7°	121.1°
C1	C2	C3	C4	118.7°	178.6°
C2	C1	H1C1	H1C2	115.8°	121.1°
C1	C2	H2C1	H2C2	119.7°	118.5°
C1	C2	C3	H3C1	1.3°	60.1°
C1	C2	C3	H3C2	122.0°	57.3°
C2	C1	O1	HO	51.0°	64.9°
C2	C3	C4	H3C1	120.0°	121.2°
C2	C3	C4	H3C2	119.3°	121.6°
C2	C3	C4	C5	159.2°	178.8°
C3	C2	C1	H1C1	78.0°	60.0°
C3	C2	C1	H1C2	157.0°	60.4°
C3	C2	H2C1	H2C2	119.7°	118.2°
C2	C3	H3C1	H3C2	119.3°	119.2°
C2	C3	C4	H4C1	80.8°	57.4°
C2	C3	C4	H4C2	39.5°	59.8°
C3	C4	C5	H4C1	120.0°	121.4°
C3	C4	C5	H4C2	119.7°	121.4°
C3	C4	C5	C6	57.4°	178.6°
C4	C3	C2	H2C1	121.3°	60.0°
C4	C3	C2	H2C2	1.0°	57.5°
C4	C3	H3C1	H3C2	119.4°	118.5°
C3	C4	H4C1	H4C2	119.8°	118.7°
C3	C4	C5	H5C1	177.4°	57.3°
C3	C4	C5	H5C2	62.7°	60.1°
C4	C5	C6	H5C1	120.0°	121.3°
C4	C5	C6	H5C2	120.1°	121.3°
C4	C5	C6	C7	137.1°	178.6°
C5	C4	C3	H3C1	39.2°	60.0°
C5	C4	C3	H3C2	81.4°	57.2°
C5	C4	H4C1	H4C2	119.8°	118.8°
C4	C5	H5C1	H5C2	120.1°	118.8°
C4	C5	C6	H6C1	102.9°	57.1°
C4	C5	C6	H6C2	17.1°	60.1°
C5	C6	C7	H6C1	120.0°	120.9°
C5	C6	C7	H6C2	120.0°	121.3°
C5	C6	C7	C8	141.5°	179.1°
C6	C5	C4	H4C1	62.6°	60.0°
C6	C5	C4	H4C2	177.2°	57.3°
C6	C5	H5C1	H5C2	120.1°	118.8°
C5	C6	H6C1	H6C2	120.1°	118.6°
C5	C6	C7	H7C1	98.5°	57.8°
C5	C6	C7	H7C2	22.0°	58.7°
C6	C7	C8	H7C1	120.0°	123.2°
C6	C7	C8	H7C2	119.5°	120.9°
C6	C7	C8	C9	165.1°	176.8°
C7	C6	C5	H5C1	17.1°	60.0°
C7	C6	C5	H5C2	102.8°	57.3°
C7	C6	H6C1	H6C2	120.0°	119.2°
C6	C7	H7C1	H7C2	119.5°	117.9°
C6	C7	C8	H8C1	74.9°	60.2°
C6	C7	C8	H8C2	44.5°	55.7°
C7	C8	C9	H8C1	120.0°	123.0°
C7	C8	C9	H8C2	120.6°	120.0°
C7	C8	C9	CA	160.8°	177.0°
C8	C7	C6	H6C1	21.5°	60.0°
C8	C7	C6	H6C2	98.4°	57.8°
C8	C7	H7C1	H7C2	119.5°	116.8°
C7	C8	H8C1	H8C2	120.6°	116.3°
C7	C8	C9	H9C1	40.8°	63.1°
C7	C8	C9	H9C2	81.0°	53.3°
C8	C9	CA	H9C1	120.0°	121.1°
C8	C9	CA	H9C2	118.3°	123.5°
C8	C9	CA	CB	131.2°	178.9°
C9	C8	C7	H7C1	45.1°	60.0°
C9	C8	C7	H7C2	75.4°	55.9°
C9	C8	H8C1	H8C2	120.6°	118.6°
C8	C9	H9C1	H9C2	118.4°	118.7°
C8	C9	CA	HAC1	108.8°	57.9°
C8	C9	CA	HAC2	10.9°	56.8°
C9	CA	CB	HAC1	120.0°	122.8°
C9	CA	CB	HAC2	120.3°	122.4°
C9	CA	CB	CC	148.1°	177.2°
CA	C9	C8	H8C1	79.2°	60.0°
CA	C9	C8	H8C2	40.2°	57.0°
CA	C9	H9C1	H9C2	118.4°	117.8°
C9	CA	HAC1	HAC2	120.2°	116.6°
C9	CA	CB	HBC1	91.9°	54.1°
C9	CA	CB	HBC2	28.5°	60.2°
CA	CB	CC	HBC1	120.0°	122.6°
CA	CB	CC	HBC2	119.6°	123.1°
CA	CB	CC	CD	171.1°	177.4°
CB	CA	C9	H9C1	11.2°	60.0°
CB	CA	C9	H9C2	110.5°	55.4°
CB	CA	HAC1	HAC2	120.3°	116.3°
CA	CB	HBC1	HBC2	119.7°	116.9°
CA	CB	CC	HCC1	51.1°	59.7°
CA	CB	CC	HCC2	69.6°	55.1°
CB	CC	CD	HCC1	120.0°	123.3°
CB	CC	CD	HCC2	119.3°	122.0°
CB	CC	CD	CE	112.8°	176.7°
CC	CB	CA	HAC1	28.1°	60.0°
CC	CB	CA	HAC2	91.7°	54.8°
CC	CB	HBC1	HBC2	119.7°	116.2°
CB	CC	HCC1	HCC2	119.3°	116.4°
CB	CC	CD	HDC1	7.2°	53.2°
CB	CC	CD	HDC2	128.1°	62.5°
CC	CD	CE	HDC1	120.0°	123.7°
CC	CD	CE	HDC2	119.0°	120.3°
CC	CD	CE	CF	123.3°	176.3°
CD	CC	CB	HBC1	68.9°	60.0°
CD	CC	CB	HBC2	51.5°	54.3°
CD	CC	HCC1	HCC2	119.3°	116.6°
CC	CD	HDC1	HDC2	119.1°	116.7°
CC	CD	CE	HEC1	3.3°	62.7°
CC	CD	CE	HEC2	116.3°	55.0°
CD	CE	CF	HEC1	120.0°	121.6°
CD	CE	CF	HEC2	120.3°	121.3°
CD	CE	CF	CG	174.5°	178.4°
CE	CD	CC	HCC1	127.2°	60.1°
CE	CD	CC	HCC2	6.4°	54.7°
CE	CD	HDC1	HDC2	119.1°	117.7°
CD	CE	HEC1	HEC2	120.3°	119.2°
CD	CE	CF	HFC1	65.5°	60.4°
CD	CE	CF	HFC2	55.5°	57.3°
CE	CF	CG	HFC1	120.0°	121.5°
CE	CF	CG	HFC2	119.0°	121.6°
CF	CE	CD	HDC1	116.7°	60.0°
CF	CE	CD	HDC2	4.3°	56.0°
CF	CE	HEC1	HEC2	120.3°	118.6°
CE	CF	HFC1	HFC2	119.0°	119.3°
CE	CF	CG	HGC1	53.6°	179.9°
CE	CF	CG	HGC2	66.3°	60.2°
CE	CF	CG	HGC3	173.6°	60.4°
CG	CF	CE	HEC1	54.5°	60.0°
CG	CF	CE	HEC2	65.2°	57.1°
CG	CF	HFC1	HFC2	119.0°	118.1°
CF	CG	HGC1	HGC2	120.0°	121.5°
CF	CG	HGC1	HGC3	120.0°	121.5°
CF	CG	HGC2	HGC3	120.0°	122.1°
H1C1	C1	C2	H2C1	42.0°	178.3°
H1C1	C1	C2	H2C2	162.2°	60.8°
H1C1	C1	O1	HO	171.0°	56.9°
H1C2	C1	C2	H2C1	83.0°	61.4°
H1C2	C1	C2	H2C2	37.3°	178.8°
H1C2	C1	O1	HO	64.1°	174.9°
H2C1	C2	C3	H3C1	118.7°	61.3°
H2C1	C2	C3	H3C2	1.9°	178.7°
H2C2	C2	C3	H3C1	121.0°	178.8°
H2C2	C2	C3	H3C2	118.3°	63.8°
H3C1	C3	C4	H4C1	159.2°	178.6°
H3C1	C3	C4	H4C2	80.5°	61.4°
H3C2	C3	C4	H4C1	38.6°	64.2°
H3C2	C3	C4	H4C2	158.8°	178.5°
H4C1	C4	C5	H5C1	57.4°	178.6°
H4C1	C4	C5	H5C2	177.3°	61.3°
H4C2	C4	C5	H5C1	62.9°	64.1°
H4C2	C4	C5	H5C2	57.1°	178.6°
H5C1	C5	C6	H6C1	137.1°	178.4°
H5C1	C5	C6	H6C2	102.9°	61.2°
H5C2	C5	C6	H6C1	17.2°	64.2°
H5C2	C5	C6	H6C2	137.2°	178.6°
H6C1	C6	C7	H7C1	141.5°	63.1°
H6C1	C6	C7	H7C2	98.0°	179.6°
H6C2	C6	C7	H7C1	21.6°	179.1°
H6C2	C6	C7	H7C2	142.1°	62.6°
H7C1	C7	C8	H8C1	165.1°	63.0°
H7C1	C7	C8	H8C2	75.5°	178.9°
H7C2	C7	C8	H8C1	44.6°	179.0°
H7C2	C7	C8	H8C2	164.0°	65.2°
H8C1	C8	C9	H9C1	160.8°	59.8°
H8C1	C8	C9	H9C2	39.1°	176.3°
H8C2	C8	C9	H9C1	79.8°	176.9°
H8C2	C8	C9	H9C2	158.4°	66.7°
H9C1	C9	CA	HAC1	131.2°	63.3°
H9C1	C9	CA	HAC2	109.1°	177.9°
H9C2	C9	CA	HAC1	9.5°	178.6°
H9C2	C9	CA	HAC2	129.2°	66.7°
HAC1	CA	CB	HBC1	148.1°	176.9°
HAC1	CA	CB	HBC2	91.5°	62.7°
HAC2	CA	CB	HBC1	28.3°	68.3°
HAC2	CA	CB	HBC2	148.7°	177.5°
HBC1	CB	CC	HCC1	171.2°	62.9°
HBC1	CB	CC	HCC2	50.4°	177.8°
HBC2	CB	CC	HCC1	68.5°	177.1°
HBC2	CB	CC	HCC2	170.8°	68.0°
HCC1	CC	CD	HDC1	112.8°	176.4°
HCC1	CC	CD	HDC2	8.1°	60.8°
HCC2	CC	CD	HDC1	126.5°	68.8°
HCC2	CC	CD	HDC2	112.6°	175.5°
HDC1	CD	CE	HEC1	123.3°	61.0°
HDC1	CD	CE	HEC2	3.7°	178.7°
HDC2	CD	CE	HEC1	115.7°	177.0°
HDC2	CD	CE	HEC2	124.6°	65.3°
HEC1	CE	CF	HFC1	174.5°	61.2°
HEC1	CE	CF	HFC2	64.5°	178.9°
HEC2	CE	CF	HFC1	54.8°	178.3°
HEC2	CE	CF	HFC2	175.9°	64.0°
HFC1	CF	CG	HGC1	173.6°	58.6°
HFC1	CF	CG	HGC2	53.6°	178.3°
HFC1	CF	CG	HGC3	66.4°	61.1°
HFC2	CF	CG	HGC1	65.4°	58.3°
HFC2	CF	CG	HGC2	174.7°	61.4°
HFC2	CF	CG	HGC3	54.7°	178.1°
HGC1	CG	HGC2	HGC3	120.0°	116.9°

Definition date:	2007-03-07
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI