BR3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CA1	CB2	doub	1.40Å	1.40Å	Aromatic
CA1	CB1	sing	1.39Å	1.39Å	Aromatic
CA1	HA1	sing	1.09Å	1.10Å
CB2	O	sing	1.37Å	1.37Å
CB2	CG2	sing	1.40Å	1.37Å	Aromatic
O	CZ2	sing	1.44Å	1.42Å
CZ2	CA2	sing	1.52Å	1.53Å
CZ2	CZ3	sing	1.53Å	1.45Å
CZ2	HZ2	sing	1.10Å	1.11Å
CA2	P	sing	1.80Å	1.74Å
CA2	HA21	sing	1.09Å	1.11Å
CA2	HA22	sing	1.09Å	1.12Å
P	OP1	sing	1.52Å	1.53Å
P	OP2	doub	1.52Å	1.48Å
CZ3	CE3	sing	1.52Å	1.45Å
CZ3	HZ31	sing	1.10Å	1.12Å
CZ3	HZ32	sing	1.10Å	1.11Å
CE3	CG2	sing	1.50Å	1.43Å
CE3	HE31	sing	1.10Å	1.12Å
CE3	HE32	sing	1.10Å	1.11Å
CG2	CD	doub	1.40Å	1.47Å	Aromatic
CD	CG1	sing	1.40Å	1.41Å	Aromatic
CD	HD	sing	1.09Å	1.10Å
CG1	CB1	doub	1.39Å	1.37Å	Aromatic
CG1	CH2	sing	1.49Å	1.42Å
CB1	HB1	sing	1.09Å	1.10Å
CH2	HH21	sing	1.10Å	1.11Å
CH2	HH22	sing	1.10Å	1.12Å
CH2	HH23	sing	1.10Å	1.11Å
HP1	P	sing	1.42Å	1.42Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CB2	CA1	CB1	118.2°	120.1°
CB2	CA1	HA1	121.0°	120.4°
CA1	CB2	O	109.7°	116.2°
CA1	CB2	CG2	121.3°	120.3°
CB1	CA1	HA1	120.8°	119.5°
CA1	CB1	CG1	127.3°	120.0°
CA1	CB1	HB1	117.4°	120.2°
O	CB2	CG2	128.8°	123.5°
CB2	O	CZ2	113.1°	115.0°
CB2	CG2	CE3	114.9°	120.9°
CB2	CG2	CD	115.8°	119.2°
O	CZ2	CA2	113.2°	107.2°
O	CZ2	CZ3	113.8°	111.4°
O	CZ2	HZ2	108.8°	108.4°
CA2	CZ2	CZ3	120.4°	110.8°
CA2	CZ2	HZ2	99.2°	108.1°
CZ2	CA2	P	113.6°	112.1°
CZ2	CA2	HA21	110.7°	109.5°
CZ2	CA2	HA22	110.7°	109.4°
CZ3	CZ2	HZ2	98.3°	110.7°
CZ2	CZ3	CE3	118.5°	109.1°
CZ2	CZ3	HZ31	109.0°	111.3°
CZ2	CZ3	HZ32	109.0°	109.5°
P	CA2	HA21	110.7°	108.7°
P	CA2	HA22	110.7°	108.7°
CA2	P	OP1	119.4°	105.9°
CA2	P	OP2	105.3°	105.9°
CA2	P	HP1	107.8°	104.5°
HA21	CA2	HA22	99.5°	108.3°
OP1	P	OP2	115.0°	118.2°
OP1	P	HP1	96.2°	110.6°
OP2	P	HP1	113.0°	110.6°
CE3	CZ3	HZ31	108.9°	110.1°
CE3	CZ3	HZ32	108.9°	109.1°
CZ3	CE3	CG2	117.8°	110.5°
CZ3	CE3	HE31	109.2°	109.8°
CZ3	CE3	HE32	109.2°	109.4°
HZ31	CZ3	HZ32	101.1°	107.7°
CG2	CE3	HE31	109.2°	108.6°
CG2	CE3	HE32	109.2°	110.5°
CE3	CG2	CD	129.2°	119.9°
HE31	CE3	HE32	100.9°	108.0°
CG2	CD	CG1	125.4°	120.4°
CG2	CD	HD	119.7°	120.5°
CG1	CD	HD	114.9°	119.1°
CD	CG1	CB1	111.9°	120.1°
CD	CG1	CH2	122.6°	120.0°
CB1	CG1	CH2	125.4°	119.9°
CG1	CB1	HB1	115.3°	119.8°
CG1	CH2	HH21	122.6°	110.4°
CG1	CH2	HH22	107.5°	111.3°
CG1	CH2	HH23	107.5°	111.3°
HH21	CH2	HH22	107.5°	108.5°
HH21	CH2	HH23	107.6°	108.4°
HH22	CH2	HH23	102.3°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CB2	CA1	CB1	HA1	179.9°	179.6°
CA1	CB2	O	CG2	174.1°	178.3°
CA1	CB2	O	CZ2	152.3°	165.1°
CA1	CB2	CG2	CE3	174.7°	179.4°
CA1	CB2	CG2	CD	3.4°	1.9°
CB2	CA1	CB1	CG1	1.2°	0.2°
CB2	CA1	CB1	HB1	178.9°	179.7°
CB1	CA1	CB2	O	177.0°	179.7°
CB1	CA1	CB2	CG2	2.4°	1.4°
CA1	CB1	CG1	CD	3.1°	0.4°
CA1	CB1	CG1	HB1	179.9°	180.0°
CA1	CB1	CG1	CH2	179.0°	179.8°
HA1	CA1	CB2	O	3.0°	0.7°
HA1	CA1	CB2	CG2	177.7°	179.0°
HA1	CA1	CB1	CG1	178.7°	179.8°
HA1	CA1	CB1	HB1	1.2°	0.1°
CB2	O	CZ2	CA2	177.8°	168.8°
CB2	O	CZ2	CZ3	40.0°	47.4°
CB2	O	CZ2	HZ2	68.5°	74.7°
O	CB2	CG2	CE3	1.2°	1.1°
O	CB2	CG2	CD	176.9°	179.9°
CG2	CB2	O	CZ2	21.8°	16.7°
CB2	CG2	CE3	CZ3	4.2°	17.0°
CB2	CG2	CE3	CD	177.7°	178.7°
CB2	CG2	CE3	HE31	121.1°	103.5°
CB2	CG2	CE3	HE32	129.5°	138.2°
CB2	CG2	CD	CG1	1.2°	1.3°
CB2	CG2	CD	HD	178.7°	179.0°
O	CZ2	CA2	CZ3	139.5°	121.7°
O	CZ2	CA2	HZ2	115.2°	116.7°
O	CZ2	CZ3	HZ2	114.9°	120.7°
O	CZ2	CA2	P	61.8°	59.1°
O	CZ2	CA2	HA21	172.9°	61.7°
O	CZ2	CA2	HA22	63.5°	179.8°
O	CZ2	CZ3	CE3	39.0°	62.9°
O	CZ2	CZ3	HZ31	86.3°	175.5°
O	CZ2	CZ3	HZ32	164.3°	56.5°
CA2	CZ2	CZ3	HZ2	105.8°	120.0°
CZ2	CA2	P	HA21	125.3°	121.2°
CZ2	CA2	P	HA22	125.3°	121.1°
CZ2	CA2	HA21	HA22	116.5°	119.2°
CZ2	CA2	P	OP1	31.2°	56.8°
CZ2	CA2	P	OP2	162.2°	176.8°
CA2	CZ2	CZ3	CE3	178.3°	177.8°
CA2	CZ2	CZ3	HZ31	53.0°	56.2°
CA2	CZ2	CZ3	HZ32	56.5°	62.8°
CZ2	CA2	P	HP1	77.0°	60.0°
CZ3	CZ2	CA2	P	158.7°	179.2°
CZ3	CZ2	CA2	HA21	33.4°	60.1°
CZ3	CZ2	CA2	HA22	76.0°	58.5°
CZ2	CZ3	CE3	HZ31	125.3°	122.4°
CZ2	CZ3	CE3	HZ32	125.3°	119.6°
CZ2	CZ3	HZ31	HZ32	114.7°	120.1°
CZ2	CZ3	CE3	CG2	16.1°	45.6°
CZ2	CZ3	CE3	HE31	141.3°	74.2°
CZ2	CZ3	CE3	HE32	109.2°	167.5°
HZ2	CZ2	CA2	P	53.4°	57.7°
HZ2	CZ2	CA2	HA21	72.0°	178.4°
HZ2	CZ2	CA2	HA22	178.6°	63.1°
HZ2	CZ2	CZ3	CE3	75.9°	57.8°
HZ2	CZ2	CZ3	HZ31	158.8°	63.8°
HZ2	CZ2	CZ3	HZ32	49.4°	177.2°
P	CA2	HA21	HA22	116.5°	118.0°
CA2	P	OP1	OP2	126.6°	118.5°
CA2	P	OP1	HP1	114.5°	112.7°
CA2	P	OP2	HP1	117.4°	112.6°
HA21	CA2	P	OP1	94.2°	178.0°
HA21	CA2	P	OP2	36.9°	55.7°
HA21	CA2	P	HP1	157.7°	61.1°
HA22	CA2	P	OP1	156.4°	64.3°
HA22	CA2	P	OP2	72.6°	62.0°
HA22	CA2	P	HP1	48.3°	178.9°
OP1	P	OP2	HP1	109.1°	128.9°
CE3	CZ3	HZ31	HZ32	114.6°	118.8°
CZ3	CE3	CG2	HE31	125.2°	120.5°
CZ3	CE3	CG2	HE32	125.3°	121.2°
CZ3	CE3	HE31	HE32	115.0°	119.2°
CZ3	CE3	CG2	CD	173.6°	164.2°
HZ31	CZ3	CE3	CG2	109.2°	168.0°
HZ31	CZ3	CE3	HE31	16.1°	48.2°
HZ31	CZ3	CE3	HE32	125.6°	70.2°
HZ32	CZ3	CE3	CG2	141.4°	74.1°
HZ32	CZ3	CE3	HE31	93.4°	166.2°
HZ32	CZ3	CE3	HE32	16.1°	47.8°
CG2	CE3	HE31	HE32	114.9°	119.9°
CE3	CG2	CD	CG1	176.5°	180.0°
CE3	CG2	CD	HD	3.6°	0.2°
HE31	CE3	CG2	CD	61.2°	75.3°
HE32	CE3	CG2	CD	48.3°	43.0°
CG2	CD	CG1	HD	180.0°	179.8°
CG2	CD	CG1	CB1	1.8°	0.1°
CG2	CD	CG1	CH2	177.8°	179.7°
CD	CG1	CB1	CH2	175.8°	179.8°
CD	CG1	CB1	HB1	176.9°	179.6°
CD	CG1	CH2	HH21	180.0°	61.4°
CD	CG1	CH2	HH22	54.8°	178.0°
CD	CG1	CH2	HH23	54.7°	59.1°
HD	CD	CG1	CB1	178.2°	179.9°
HD	CD	CG1	CH2	2.2°	0.1°
CB1	CG1	CH2	HH21	4.6°	118.8°
CB1	CG1	CH2	HH22	129.8°	1.8°
CB1	CG1	CH2	HH23	120.7°	120.8°
CH2	CG1	CB1	HB1	1.1°	0.2°
CG1	CH2	HH21	HH22	125.2°	122.2°
CG1	CH2	HH21	HH23	125.3°	122.1°
CG1	CH2	HH22	HH23	113.0°	121.6°
HH21	CH2	HH22	HH23	113.1°	116.7°

Definition date:	2003-05-23
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1PE5