BPM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C0	C1A	sing	1.51Å	1.53Å
C0	C1B	sing	1.51Å	1.50Å
C0	HC01	sing	1.09Å	1.10Å
C0	HC02	sing	1.09Å	1.10Å
C1A	C2A	doub	1.38Å	1.39Å	Aromatic
C1A	C6A	sing	1.38Å	1.40Å	Aromatic
C2A	C3A	sing	1.38Å	1.40Å	Aromatic
C2A	H2A	sing	1.08Å	1.08Å
C3A	C4A	doub	1.39Å	1.39Å	Aromatic
C3A	H3A	sing	1.08Å	1.08Å
C5A	C6A	doub	1.38Å	1.39Å	Aromatic
C5A	C4A	sing	1.39Å	1.40Å	Aromatic
C5A	H5A	sing	1.08Å	1.08Å
C6A	H6A	sing	1.08Å	1.08Å
C4A	O1A	sing	1.36Å	1.41Å
O1A	PA	sing	1.61Å	1.46Å
PA	O2A	doub	1.48Å	1.45Å
PA	O3A	sing	1.61Å	1.44Å
PA	O4A	sing	1.61Å	1.44Å
O3A	HOA3	sing	0.97Å	0.95Å
O4A	HOA4	sing	0.97Å	0.95Å
C1B	C2B	doub	1.38Å	1.40Å	Aromatic
C1B	C6B	sing	1.38Å	1.39Å	Aromatic
C2B	C3B	sing	1.38Å	1.38Å	Aromatic
C2B	H2B	sing	1.08Å	1.08Å
C3B	C4B	doub	1.39Å	1.39Å	Aromatic
C3B	H3B	sing	1.08Å	1.08Å
C5B	C6B	doub	1.38Å	1.38Å	Aromatic
C5B	C4B	sing	1.39Å	1.39Å	Aromatic
C5B	H5B	sing	1.08Å	1.08Å
C6B	H6B	sing	1.08Å	1.08Å
C4B	O1B	sing	1.36Å	1.39Å
O1B	PB	sing	1.61Å	1.47Å
PB	O2B	doub	1.48Å	1.48Å
PB	O3B	sing	1.61Å	1.47Å
PB	O4B	sing	1.61Å	1.47Å
O3B	HOB3	sing	0.97Å	0.95Å
O4B	HOB4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1A	C0	C1B	110.2°	109.5°
C1A	C0	HC01	109.3°	109.5°
C1A	C0	HC02	109.3°	109.5°
C0	C1A	C2A	117.6°	119.9°
C0	C1A	C6A	122.6°	120.0°
C1B	C0	HC01	109.3°	109.5°
C1B	C0	HC02	109.3°	109.5°
C0	C1B	C2B	117.3°	119.9°
C0	C1B	C6B	119.9°	120.0°
HC01	C0	HC02	109.5°	109.5°
C2A	C1A	C6A	119.8°	120.1°
C1A	C2A	C3A	118.5°	120.1°
C1A	C2A	H2A	120.7°	120.0°
C1A	C6A	C5A	121.8°	120.1°
C1A	C6A	H6A	119.1°	119.9°
C3A	C2A	H2A	120.7°	119.9°
C2A	C3A	C4A	121.4°	119.9°
C2A	C3A	H3A	119.3°	120.1°
C4A	C3A	H3A	119.3°	120.0°
C3A	C4A	C5A	120.6°	119.9°
C3A	C4A	O1A	115.4°	120.1°
C6A	C5A	C4A	118.0°	119.9°
C6A	C5A	H5A	121.0°	120.0°
C5A	C6A	H6A	119.1°	120.0°
C4A	C5A	H5A	121.0°	120.0°
C5A	C4A	O1A	124.0°	120.0°
C4A	O1A	PA	122.6°	114.0°
O1A	PA	O2A	112.5°	109.5°
O1A	PA	O3A	116.7°	109.5°
O1A	PA	O4A	100.2°	109.5°
O2A	PA	O3A	111.2°	109.5°
O2A	PA	O4A	105.7°	109.4°
O3A	PA	O4A	109.4°	109.5°
PA	O3A	HOA3	109.5°	114.0°
PA	O4A	HOA4	109.5°	114.1°
C2B	C1B	C6B	122.5°	120.1°
C1B	C2B	C3B	119.4°	120.1°
C1B	C2B	H2B	120.3°	120.0°
C1B	C6B	C5B	118.4°	120.1°
C1B	C6B	H6B	120.8°	120.0°
C3B	C2B	H2B	120.3°	120.0°
C2B	C3B	C4B	117.6°	119.9°
C2B	C3B	H3B	121.2°	120.0°
C4B	C3B	H3B	121.2°	120.0°
C3B	C4B	C5B	123.6°	119.9°
C3B	C4B	O1B	116.5°	120.0°
C6B	C5B	C4B	118.5°	119.9°
C6B	C5B	H5B	120.7°	120.0°
C5B	C6B	H6B	120.8°	120.0°
C4B	C5B	H5B	120.7°	120.0°
C5B	C4B	O1B	120.0°	120.1°
C4B	O1B	PB	108.6°	114.0°
O1B	PB	O2B	115.1°	109.5°
O1B	PB	O3B	105.7°	109.5°
O1B	PB	O4B	109.6°	109.4°
O2B	PB	O3B	109.0°	109.5°
O2B	PB	O4B	107.2°	109.4°
O3B	PB	O4B	110.1°	109.5°
PB	O3B	HOB3	109.5°	114.0°
PB	O4B	HOB4	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1A	C0	C1B	HC01	120.1°	120.0°
C1A	C0	C1B	HC02	120.1°	120.0°
C1A	C0	HC01	HC02	119.7°	120.0°
C0	C1A	C2A	C6A	179.2°	179.7°
C0	C1A	C2A	C3A	178.9°	180.0°
C0	C1A	C2A	H2A	1.1°	0.0°
C0	C1A	C6A	C5A	178.8°	180.0°
C0	C1A	C6A	H6A	1.2°	0.0°
C1A	C0	C1B	C2B	71.5°	90.0°
C1A	C0	C1B	C6B	102.0°	90.3°
C1B	C0	HC01	HC02	119.7°	120.0°
C1B	C0	C1A	C2A	155.6°	90.0°
C1B	C0	C1A	C6A	25.2°	90.3°
C0	C1B	C2B	C6B	173.3°	179.6°
C0	C1B	C2B	C3B	172.3°	180.0°
C0	C1B	C2B	H2B	7.6°	0.0°
C0	C1B	C6B	C5B	172.2°	180.0°
C0	C1B	C6B	H6B	7.8°	0.0°
HC01	C0	C1A	C2A	35.6°	150.0°
HC01	C0	C1A	C6A	145.3°	29.7°
HC01	C0	C1B	C2B	48.6°	30.0°
HC01	C0	C1B	C6B	137.9°	149.7°
HC02	C0	C1A	C2A	84.2°	30.0°
HC02	C0	C1A	C6A	94.9°	149.7°
HC02	C0	C1B	C2B	168.4°	150.0°
HC02	C0	C1B	C6B	18.1°	29.7°
C1A	C2A	C3A	H2A	180.0°	180.0°
C1A	C2A	C3A	C4A	0.1°	0.0°
C1A	C2A	C3A	H3A	179.9°	179.9°
C2A	C1A	C6A	C5A	0.4°	0.3°
C2A	C1A	C6A	H6A	179.7°	179.7°
C6A	C1A	C2A	C3A	0.3°	0.3°
C6A	C1A	C2A	H2A	179.7°	179.7°
C1A	C6A	C5A	H6A	180.0°	179.9°
C1A	C6A	C5A	C4A	0.0°	0.0°
C1A	C6A	C5A	H5A	180.0°	179.9°
C2A	C3A	C4A	H3A	180.0°	180.0°
C2A	C3A	C4A	C5A	0.5°	0.3°
C2A	C3A	C4A	O1A	176.7°	180.0°
H2A	C2A	C3A	C4A	179.9°	180.0°
H2A	C2A	C3A	H3A	0.1°	0.0°
C3A	C4A	C5A	C6A	0.4°	0.3°
C3A	C4A	C5A	O1A	176.9°	179.8°
C3A	C4A	C5A	H5A	179.6°	179.8°
C3A	C4A	O1A	PA	163.5°	90.0°
H3A	C3A	C4A	C5A	179.5°	179.8°
H3A	C3A	C4A	O1A	3.3°	0.0°
C6A	C5A	C4A	H5A	180.0°	179.9°
C6A	C5A	C4A	O1A	176.5°	179.9°
C4A	C5A	C6A	H6A	180.0°	180.0°
C5A	C4A	O1A	PA	19.4°	89.8°
H5A	C5A	C6A	H6A	0.0°	0.1°
H5A	C5A	C4A	O1A	3.5°	0.0°
C4A	O1A	PA	O2A	58.9°	55.0°
C4A	O1A	PA	O3A	71.3°	65.0°
C4A	O1A	PA	O4A	170.7°	175.0°
O1A	PA	O2A	O3A	133.0°	120.0°
O1A	PA	O2A	O4A	108.4°	120.0°
O1A	PA	O3A	O4A	112.8°	120.0°
O1A	PA	O3A	HOA3	130.9°	60.0°
O1A	PA	O4A	HOA4	117.0°	180.0°
O2A	PA	O3A	O4A	116.3°	120.0°
O2A	PA	O3A	HOA3	0.0°	180.0°
O2A	PA	O4A	HOA4	0.0°	60.0°
O3A	PA	O4A	HOA4	119.8°	60.0°
O4A	PA	O3A	HOA3	116.3°	60.0°
C1B	C2B	C3B	H2B	180.0°	180.0°
C1B	C2B	C3B	C4B	0.3°	0.0°
C1B	C2B	C3B	H3B	179.7°	179.9°
C2B	C1B	C6B	C5B	1.0°	0.4°
C2B	C1B	C6B	H6B	179.0°	179.7°
C6B	C1B	C2B	C3B	1.0°	0.4°
C6B	C1B	C2B	H2B	179.0°	179.7°
C1B	C6B	C5B	H6B	180.0°	179.9°
C1B	C6B	C5B	C4B	0.3°	0.0°
C1B	C6B	C5B	H5B	179.8°	179.9°
C2B	C3B	C4B	H3B	180.0°	180.0°
C2B	C3B	C4B	C5B	0.4°	0.3°
C2B	C3B	C4B	O1B	179.5°	180.0°
H2B	C2B	C3B	C4B	179.7°	180.0°
H2B	C2B	C3B	H3B	0.3°	0.0°
C3B	C4B	C5B	C6B	0.4°	0.3°
C3B	C4B	C5B	O1B	179.1°	179.8°
C3B	C4B	C5B	H5B	179.6°	179.8°
C3B	C4B	O1B	PB	100.0°	90.0°
H3B	C3B	C4B	C5B	179.6°	179.7°
H3B	C3B	C4B	O1B	0.5°	0.0°
C6B	C5B	C4B	H5B	180.0°	180.0°
C6B	C5B	C4B	O1B	179.5°	180.0°
C4B	C5B	C6B	H6B	179.7°	180.0°
C5B	C4B	O1B	PB	79.2°	89.7°
H5B	C5B	C6B	H6B	0.3°	0.0°
H5B	C5B	C4B	O1B	0.5°	0.0°
C4B	O1B	PB	O2B	26.4°	55.0°
C4B	O1B	PB	O3B	94.1°	65.0°
C4B	O1B	PB	O4B	147.2°	175.0°
O1B	PB	O2B	O3B	118.6°	120.0°
O1B	PB	O2B	O4B	122.2°	119.9°
O1B	PB	O3B	O4B	118.3°	120.0°
O1B	PB	O3B	HOB3	124.3°	60.0°
O1B	PB	O4B	HOB4	125.6°	180.0°
O2B	PB	O3B	O4B	117.3°	120.0°
O2B	PB	O3B	HOB3	0.0°	180.0°
O2B	PB	O4B	HOB4	0.0°	60.0°
O3B	PB	O4B	HOB4	118.5°	60.0°
O4B	PB	O3B	HOB3	117.3°	60.0°

Definition date:	1999-07-08
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1AAX