55P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CBL	CBT	sing	1.53Å	1.57Å
CBL	CBJ	sing	1.53Å	1.56Å
CBX	CBT	sing	1.53Å	1.57Å
CBM	CBJ	sing	1.53Å	1.54Å
CBM	CBN	sing	1.51Å	1.43Å
CBO	CBN	doub	1.38Å	1.42Å	Aromatic
CBO	CBP	sing	1.38Å	1.42Å	Aromatic
CBT	CBU	sing	1.51Å	1.60Å
NBI	CBJ	sing	1.47Å	1.48Å
CBN	CBS	sing	1.38Å	1.40Å	Aromatic
CBP	CBQ	doub	1.38Å	1.41Å	Aromatic
CBU	OXT	doub	1.21Å	1.26Å
CBU	O	sing	1.34Å	1.28Å
CBS	CBR	doub	1.38Å	1.41Å	Aromatic
CBQ	CBR	sing	1.38Å	1.41Å	Aromatic
NBI	H43	sing	1.01Å	1.00Å
CBJ	H44	sing	1.09Å	1.10Å
CBL	H45	sing	1.09Å	1.10Å
CBL	H46	sing	1.09Å	1.10Å
CBT	H47	sing	1.09Å	1.10Å
CBX	H48	sing	1.09Å	1.10Å
CBX	H49	sing	1.09Å	1.10Å
CBX	H50	sing	1.09Å	1.10Å
O	H51	sing	0.97Å	0.95Å
CBM	H52	sing	1.09Å	1.10Å
CBM	H53	sing	1.09Å	1.10Å
CBO	H54	sing	1.08Å	1.08Å
CBP	H55	sing	1.08Å	1.08Å
CBQ	H56	sing	1.08Å	1.08Å
CBR	H57	sing	1.08Å	1.08Å
CBS	H58	sing	1.08Å	1.08Å
NBI	H2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CBT	CBL	CBJ	116.8°	109.5°
CBL	CBT	CBX	113.6°	109.5°
CBL	CBT	CBU	118.4°	109.5°
CBT	CBL	H45	107.6°	109.5°
CBT	CBL	H46	107.6°	109.5°
CBL	CBT	H47	103.7°	109.5°
CBL	CBJ	CBM	113.3°	109.5°
CBL	CBJ	NBI	111.5°	109.5°
CBL	CBJ	H44	108.1°	109.5°
CBJ	CBL	H45	107.6°	109.5°
CBJ	CBL	H46	107.6°	109.5°
CBX	CBT	CBU	111.7°	109.5°
CBX	CBT	H47	103.8°	109.5°
CBT	CBX	H48	109.5°	109.4°
CBT	CBX	H49	109.5°	109.5°
CBT	CBX	H50	109.5°	109.5°
CBJ	CBM	CBN	109.4°	109.5°
CBM	CBJ	NBI	106.5°	109.4°
CBM	CBJ	H44	108.3°	109.4°
CBJ	CBM	H52	109.5°	109.5°
CBJ	CBM	H53	109.5°	109.5°
CBM	CBN	CBO	122.3°	120.0°
CBM	CBN	CBS	121.8°	120.0°
CBN	CBM	H52	109.5°	109.5°
CBN	CBM	H53	109.5°	109.5°
CBN	CBO	CBP	124.7°	120.0°
CBO	CBN	CBS	115.9°	120.0°
CBN	CBO	H54	117.6°	120.0°
CBO	CBP	CBQ	118.2°	120.0°
CBP	CBO	H54	117.6°	120.0°
CBO	CBP	H55	120.9°	120.0°
CBT	CBU	OXT	113.3°	120.0°
CBT	CBU	O	121.8°	120.1°
CBU	CBT	H47	103.5°	109.5°
CBJ	NBI	H43	109.5°	111.0°
NBI	CBJ	H44	109.1°	109.5°
CBJ	NBI	H2	109.5°	111.0°
CBN	CBS	CBR	120.3°	120.0°
CBN	CBS	H58	119.9°	120.0°
CBP	CBQ	CBR	117.7°	120.0°
CBQ	CBP	H55	120.9°	120.0°
CBP	CBQ	H56	121.1°	120.0°
OXT	CBU	O	124.3°	120.0°
CBU	O	H51	109.5°	117.1°
CBS	CBR	CBQ	123.1°	120.0°
CBS	CBR	H57	118.4°	120.0°
CBR	CBS	H58	119.8°	120.0°
CBR	CBQ	H56	121.1°	120.0°
CBQ	CBR	H57	118.4°	120.0°
H43	NBI	H2	109.4°	111.0°
H45	CBL	H46	109.5°	109.4°
H48	CBX	H49	109.5°	109.5°
H48	CBX	H50	109.5°	109.5°
H49	CBX	H50	109.5°	109.5°
H52	CBM	H53	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CBT	CBL	CBJ	H45	121.1°	120.0°
CBT	CBL	CBJ	H46	121.1°	120.0°
CBL	CBT	CBX	CBU	137.1°	120.0°
CBL	CBT	CBX	H47	112.0°	120.0°
CBT	CBL	CBJ	CBM	131.0°	175.0°
CBL	CBT	CBU	H47	114.1°	120.0°
CBT	CBL	CBJ	NBI	108.8°	65.0°
CBL	CBT	CBU	OXT	83.9°	0.0°
CBL	CBT	CBU	O	104.3°	180.0°
CBT	CBL	CBJ	H44	11.1°	55.0°
CBT	CBL	H45	H46	116.7°	120.0°
CBL	CBT	CBX	H48	180.0°	60.0°
CBL	CBT	CBX	H49	60.0°	180.0°
CBL	CBT	CBX	H50	60.0°	60.0°
CBJ	CBL	CBT	CBX	139.0°	65.0°
CBL	CBJ	CBM	NBI	122.9°	120.0°
CBL	CBJ	CBM	H44	119.8°	120.1°
CBL	CBJ	CBM	CBN	169.5°	175.0°
CBJ	CBL	CBT	CBU	4.9°	175.0°
CBL	CBJ	NBI	H44	119.2°	120.1°
CBL	CBJ	NBI	H43	180.0°	60.0°
CBJ	CBL	H45	H46	116.7°	120.0°
CBJ	CBL	CBT	H47	109.0°	55.0°
CBL	CBJ	CBM	H52	49.5°	65.0°
CBL	CBJ	CBM	H53	70.5°	55.0°
CBL	CBJ	NBI	H2	60.0°	176.1°
CBX	CBT	CBU	H47	111.1°	120.0°
CBX	CBT	CBU	OXT	141.3°	120.0°
CBX	CBT	CBU	O	30.5°	60.0°
CBX	CBT	CBL	H45	17.9°	55.0°
CBX	CBT	CBL	H46	99.9°	175.0°
CBT	CBX	H48	H49	120.0°	120.0°
CBT	CBX	H48	H50	120.0°	120.0°
CBT	CBX	H49	H50	120.0°	120.0°
CBJ	CBM	CBN	H52	120.0°	120.0°
CBJ	CBM	CBN	H53	120.0°	120.0°
CBJ	CBM	CBN	CBO	103.5°	89.7°
CBM	CBJ	NBI	H44	116.7°	120.0°
CBJ	CBM	CBN	CBS	77.5°	90.0°
CBM	CBJ	NBI	H43	55.9°	60.0°
CBM	CBJ	CBL	H45	107.9°	55.0°
CBM	CBJ	CBL	H46	10.0°	65.0°
CBJ	CBM	H52	H53	120.1°	120.0°
CBM	CBJ	NBI	H2	175.9°	64.0°
CBM	CBN	CBO	CBS	179.0°	179.7°
CBM	CBN	CBO	CBP	178.8°	180.0°
CBN	CBM	CBJ	NBI	46.6°	65.0°
CBM	CBN	CBS	CBR	179.4°	179.8°
CBN	CBM	CBJ	H44	70.6°	55.0°
CBN	CBM	H52	H53	120.0°	120.0°
CBM	CBN	CBO	H54	1.2°	0.0°
CBM	CBN	CBS	H58	0.6°	0.0°
CBN	CBO	CBP	H54	180.0°	179.9°
CBN	CBO	CBP	CBQ	1.3°	0.1°
CBO	CBN	CBS	CBR	1.5°	0.5°
CBO	CBN	CBM	H52	16.5°	150.2°
CBO	CBN	CBM	H53	136.5°	30.3°
CBN	CBO	CBP	H55	178.7°	180.0°
CBO	CBN	CBS	H58	178.5°	179.8°
CBP	CBO	CBN	CBS	2.1°	0.2°
CBO	CBP	CBQ	H55	180.0°	179.9°
CBO	CBP	CBQ	CBR	0.2°	0.1°
CBO	CBP	CBQ	H56	179.8°	179.9°
CBT	CBU	OXT	O	171.6°	179.9°
CBU	CBT	CBL	H45	116.1°	65.0°
CBU	CBT	CBL	H46	126.0°	55.0°
CBU	CBT	CBX	H48	42.9°	60.0°
CBU	CBT	CBX	H49	162.8°	60.0°
CBU	CBT	CBX	H50	77.2°	180.0°
CBT	CBU	O	H51	170.9°	180.0°
CBJ	NBI	H43	H2	120.0°	123.9°
NBI	CBJ	CBL	H45	12.3°	175.0°
NBI	CBJ	CBL	H46	130.1°	55.0°
NBI	CBJ	CBM	H52	73.4°	55.0°
NBI	CBJ	CBM	H53	166.5°	174.9°
CBN	CBS	CBR	H58	180.0°	179.8°
CBN	CBS	CBR	CBQ	0.2°	0.4°
CBS	CBN	CBM	H52	162.5°	30.0°
CBS	CBN	CBM	H53	42.5°	150.0°
CBS	CBN	CBO	H54	177.9°	179.7°
CBN	CBS	CBR	H57	179.8°	179.7°
CBP	CBQ	CBR	CBS	0.7°	0.1°
CBP	CBQ	CBR	H56	180.0°	180.0°
CBQ	CBP	CBO	H54	178.7°	180.0°
CBP	CBQ	CBR	H57	179.3°	180.0°
OXT	CBU	CBT	H47	30.2°	120.0°
OXT	CBU	O	H51	0.0°	0.1°
O	CBU	CBT	H47	141.6°	60.0°
CBS	CBR	CBQ	H57	180.0°	179.9°
CBS	CBR	CBQ	H56	179.3°	179.8°
CBR	CBQ	CBP	H55	179.8°	180.0°
CBQ	CBR	CBS	H58	179.8°	179.8°
H43	NBI	CBJ	H44	60.7°	180.0°
H44	CBJ	CBL	H45	132.1°	65.0°
H44	CBJ	CBL	H46	110.0°	175.0°
H44	CBJ	CBM	H52	169.4°	175.0°
H44	CBJ	CBM	H53	49.3°	65.1°
H44	CBJ	NBI	H2	59.2°	56.0°
H45	CBL	CBT	H47	129.9°	175.0°
H46	CBL	CBT	H47	12.0°	65.0°
H47	CBT	CBX	H48	68.0°	180.0°
H47	CBT	CBX	H49	51.9°	60.0°
H47	CBT	CBX	H50	171.9°	60.0°
H48	CBX	H49	H50	120.0°	120.1°
H54	CBO	CBP	H55	1.3°	0.1°
H55	CBP	CBQ	H56	0.2°	0.0°
H56	CBQ	CBR	H57	0.7°	0.1°
H57	CBR	CBS	H58	0.2°	0.1°

Release date:	2016-07-27
Definition date:	2015-07-30
Last modified:	2016-07-22
Release status:	REL
Processing site:	RCSB
Derived from:	4ZOL