M84

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4B	C4B	doub	1.22Å	1.23Å
C4B	CW2	sing	1.48Å	1.52Å
C4B	NB4	sing	1.35Å	1.33Å
CW2	CW3	sing	1.40Å	1.40Å	Aromatic
CW2	CW7	doub	1.40Å	1.40Å	Aromatic
CW3	CW4	doub	1.38Å	1.40Å	Aromatic
CW4	CW5	sing	1.38Å	1.40Å	Aromatic
CW5	CW6	doub	1.38Å	1.41Å	Aromatic
CW6	CW7	sing	1.38Å	1.41Å	Aromatic
NB4	CB4	sing	1.40Å	1.41Å
CB4	CB3	sing	1.39Å	1.38Å	Aromatic
CB4	CB5	doub	1.39Å	1.41Å	Aromatic
CB3	CB2	doub	1.38Å	1.39Å	Aromatic
CB2	CB1	sing	1.38Å	1.40Å	Aromatic
CB5	CB6	sing	1.38Å	1.41Å	Aromatic
CB6	CB1	doub	1.38Å	1.40Å	Aromatic
CB1	C3B	sing	1.51Å	1.51Å
C3B	C2B	sing	1.53Å	1.51Å
C2B	C1B	sing	1.51Å	1.52Å
C1B	O1B	doub	1.21Å	1.22Å
C1B	OXT	sing	1.34Å	1.41Å
NB4	HB4	sing	0.97Å	1.00Å
CW3	HW3	sing	1.08Å	1.08Å
CW7	HW7	sing	1.08Å	1.08Å
CW4	HW4	sing	1.08Å	1.08Å
CW5	HW5	sing	1.08Å	1.08Å
CW6	HW6	sing	1.08Å	1.08Å
CB3	HB3	sing	1.08Å	1.08Å
CB5	HB5	sing	1.08Å	1.08Å
CB2	HB2	sing	1.08Å	1.08Å
CB6	HB6	sing	1.08Å	1.08Å
C3B	H3B1	sing	1.09Å	1.10Å
C3B	H3B2	sing	1.09Å	1.10Å
C2B	H2B1	sing	1.09Å	1.10Å
C2B	H2B2	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4B	C4B	CW2	120.2°	120.0°
O4B	C4B	NB4	121.4°	120.0°
CW2	C4B	NB4	118.4°	120.0°
C4B	CW2	CW3	120.9°	120.2°
C4B	CW2	CW7	120.4°	120.2°
C4B	NB4	CB4	126.7°	120.0°
C4B	NB4	HB4	116.7°	119.9°
CW3	CW2	CW7	118.6°	119.7°
CW2	CW3	CW4	120.6°	119.8°
CW2	CW3	HW3	119.7°	120.1°
CW2	CW7	CW6	121.0°	119.9°
CW2	CW7	HW7	119.5°	120.0°
CW3	CW4	CW5	120.8°	120.2°
CW4	CW3	HW3	119.7°	120.1°
CW3	CW4	HW4	119.6°	119.9°
CW4	CW5	CW6	119.3°	120.2°
CW5	CW4	HW4	119.6°	119.9°
CW4	CW5	HW5	120.4°	119.9°
CW5	CW6	CW7	119.8°	120.2°
CW6	CW5	HW5	120.4°	119.9°
CW5	CW6	HW6	120.1°	119.9°
CW6	CW7	HW7	119.5°	120.1°
CW7	CW6	HW6	120.1°	119.9°
NB4	CB4	CB3	115.7°	120.1°
NB4	CB4	CB5	125.3°	120.1°
CB4	NB4	HB4	116.6°	120.0°
CB3	CB4	CB5	119.0°	119.8°
CB4	CB3	CB2	119.5°	120.0°
CB4	CB3	HB3	120.2°	120.0°
CB4	CB5	CB6	121.3°	119.9°
CB4	CB5	HB5	119.4°	120.0°
CB3	CB2	CB1	122.6°	120.0°
CB2	CB3	HB3	120.3°	120.0°
CB3	CB2	HB2	118.7°	120.0°
CB2	CB1	CB6	118.5°	120.2°
CB2	CB1	C3B	115.8°	119.9°
CB1	CB2	HB2	118.7°	120.0°
CB5	CB6	CB1	119.1°	120.1°
CB6	CB5	HB5	119.4°	120.1°
CB5	CB6	HB6	120.5°	119.9°
CB6	CB1	C3B	125.6°	119.9°
CB1	CB6	HB6	120.4°	120.0°
CB1	C3B	C2B	113.7°	109.5°
CB1	C3B	H3B1	108.1°	109.5°
CB1	C3B	H3B2	107.1°	109.5°
C3B	C2B	C1B	111.6°	109.5°
C2B	C3B	H3B1	108.1°	109.5°
C2B	C3B	H3B2	107.1°	109.4°
C3B	C2B	H2B1	108.8°	109.5°
C3B	C2B	H2B2	108.3°	109.5°
C2B	C1B	O1B	120.3°	120.0°
C2B	C1B	OXT	125.6°	120.0°
C1B	C2B	H2B1	108.8°	109.4°
C1B	C2B	H2B2	108.3°	109.5°
O1B	C1B	OXT	113.9°	120.0°
C1B	OXT	HXT	109.5°	117.0°
H3B1	C3B	H3B2	112.9°	109.4°
H2B1	C2B	H2B2	111.1°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4B	C4B	CW2	NB4	179.1°	179.8°
O4B	C4B	CW2	CW3	0.7°	0.0°
O4B	C4B	CW2	CW7	179.2°	179.8°
O4B	C4B	NB4	CB4	29.1°	5.3°
O4B	C4B	NB4	HB4	150.9°	174.7°
C4B	CW2	CW3	CW7	179.9°	179.8°
C4B	CW2	CW3	CW4	179.9°	179.9°
C4B	CW2	CW7	CW6	180.0°	179.8°
CW2	C4B	NB4	CB4	151.7°	174.5°
CW2	C4B	NB4	HB4	28.2°	5.6°
C4B	CW2	CW3	HW3	0.0°	0.0°
C4B	CW2	CW7	HW7	0.0°	0.0°
NB4	C4B	CW2	CW3	179.9°	179.7°
NB4	C4B	CW2	CW7	0.0°	0.0°
C4B	NB4	CB4	HB4	180.0°	179.9°
C4B	NB4	CB4	CB3	148.4°	146.8°
C4B	NB4	CB4	CB5	33.1°	33.6°
CW2	CW3	CW4	HW3	180.0°	180.0°
CW2	CW3	CW4	CW5	0.1°	0.1°
CW3	CW2	CW7	CW6	0.1°	0.5°
CW3	CW2	CW7	HW7	179.9°	179.7°
CW2	CW3	CW4	HW4	179.9°	180.0°
CW7	CW2	CW3	CW4	0.1°	0.2°
CW2	CW7	CW6	CW5	0.0°	0.5°
CW2	CW7	CW6	HW7	180.0°	179.8°
CW7	CW2	CW3	HW3	179.9°	179.8°
CW2	CW7	CW6	HW6	180.0°	179.7°
CW3	CW4	CW5	HW4	180.0°	179.9°
CW3	CW4	CW5	CW6	0.0°	0.1°
CW3	CW4	CW5	HW5	180.0°	180.0°
CW4	CW5	CW6	HW5	180.0°	180.0°
CW4	CW5	CW6	CW7	0.0°	0.2°
CW5	CW4	CW3	HW3	179.9°	179.9°
CW4	CW5	CW6	HW6	180.0°	179.9°
CW5	CW6	CW7	HW6	180.0°	179.9°
CW5	CW6	CW7	HW7	180.0°	179.7°
CW6	CW5	CW4	HW4	180.0°	179.9°
CW7	CW6	CW5	HW5	180.0°	179.8°
NB4	CB4	CB3	CB5	178.6°	179.6°
NB4	CB4	CB3	CB2	179.6°	180.0°
NB4	CB4	CB5	CB6	179.4°	180.0°
NB4	CB4	CB3	HB3	0.4°	0.1°
NB4	CB4	CB5	HB5	0.7°	0.0°
CB4	CB3	CB2	HB3	180.0°	179.9°
CB4	CB3	CB2	CB1	0.8°	0.1°
CB3	CB4	CB5	CB6	1.0°	0.4°
CB3	CB4	NB4	HB4	31.6°	33.1°
CB3	CB4	CB5	HB5	179.1°	179.7°
CB4	CB3	CB2	HB2	179.2°	180.0°
CB5	CB4	CB3	CB2	1.1°	0.4°
CB4	CB5	CB6	HB5	180.0°	180.0°
CB4	CB5	CB6	CB1	0.6°	0.1°
CB5	CB4	NB4	HB4	146.8°	146.5°
CB5	CB4	CB3	HB3	179.0°	179.8°
CB4	CB5	CB6	HB6	179.5°	180.0°
CB3	CB2	CB1	HB2	180.0°	179.9°
CB3	CB2	CB1	CB6	0.4°	0.2°
CB3	CB2	CB1	C3B	179.8°	180.0°
CB2	CB1	CB6	CB5	0.3°	0.2°
CB2	CB1	CB6	C3B	179.8°	179.8°
CB2	CB1	C3B	C2B	164.4°	90.0°
CB1	CB2	CB3	HB3	179.2°	180.0°
CB2	CB1	CB6	HB6	179.7°	179.7°
CB2	CB1	C3B	H3B1	75.6°	149.9°
CB2	CB1	C3B	H3B2	46.3°	30.0°
CB5	CB6	CB1	HB6	180.0°	180.0°
CB5	CB6	CB1	C3B	180.0°	180.0°
CB6	CB1	C3B	C2B	15.9°	89.8°
CB1	CB6	CB5	HB5	179.5°	180.0°
CB6	CB1	CB2	HB2	179.6°	179.7°
CB6	CB1	C3B	H3B1	104.2°	30.3°
CB6	CB1	C3B	H3B2	134.0°	150.2°
CB1	C3B	C2B	H3B1	120.0°	120.1°
CB1	C3B	C2B	H3B2	118.1°	120.0°
CB1	C3B	C2B	C1B	145.7°	NaN°
C3B	CB1	CB2	HB2	0.2°	0.0°
C3B	CB1	CB6	HB6	0.0°	0.0°
CB1	C3B	H3B1	H3B2	118.2°	120.0°
CB1	C3B	C2B	H2B1	94.3°	60.0°
CB1	C3B	C2B	H2B2	26.6°	60.0°
C3B	C2B	C1B	H2B1	120.0°	120.1°
C3B	C2B	C1B	H2B2	119.1°	120.0°
C3B	C2B	C1B	O1B	176.8°	0.0°
C3B	C2B	C1B	OXT	2.2°	179.9°
C2B	C3B	H3B1	H3B2	118.3°	119.9°
C3B	C2B	H2B1	H2B2	119.1°	120.0°
C2B	C1B	O1B	OXT	175.2°	179.9°
C1B	C2B	C3B	H3B1	25.7°	59.9°
C1B	C2B	C3B	H3B2	96.2°	60.0°
C1B	C2B	H2B1	H2B2	119.1°	119.9°
C2B	C1B	OXT	HXT	174.9°	179.9°
O1B	C1B	C2B	H2B1	63.2°	120.1°
O1B	C1B	C2B	H2B2	57.6°	120.0°
O1B	C1B	OXT	HXT	0.0°	0.1°
OXT	C1B	C2B	H2B1	122.2°	60.0°
OXT	C1B	C2B	H2B2	116.9°	59.9°
HW3	CW3	CW4	HW4	0.1°	0.1°
HW7	CW7	CW6	HW6	0.0°	0.1°
HW4	CW4	CW5	HW5	0.0°	0.1°
HW5	CW5	CW6	HW6	0.0°	0.1°
HB3	CB3	CB2	HB2	0.8°	0.1°
HB5	CB5	CB6	HB6	0.5°	0.0°
H3B1	C3B	C2B	H2B1	145.7°	179.9°
H3B1	C3B	C2B	H2B2	93.4°	60.1°
H3B2	C3B	C2B	H2B1	23.8°	60.1°
H3B2	C3B	C2B	H2B2	144.7°	180.0°

Definition date:	2010-03-31
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2XAQ