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Summary Geometry Related PDB entries

B3X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OE1	CD	doub	1.23Å	1.20Å
CD	NE2	sing	1.38Å	1.35Å
CD	CG	sing	1.52Å	1.52Å
NE2	HE21	sing	1.02Å	1.00Å
NE2	HE22	sing	1.02Å	1.00Å
CG	CA	sing	1.54Å	1.56Å
CG	HG3	sing	1.10Å	1.10Å
CG	HG2	sing	1.10Å	1.10Å
CA	N	sing	1.47Å	1.45Å
CA	CB	sing	1.54Å	1.51Å
CA	HA	sing	1.10Å	1.10Å
N	H	sing	0.99Å	1.00Å
N	H2	sing	0.99Å	1.00Å
CB	C	sing	1.51Å	1.51Å
CB	HB1	sing	1.10Å	1.10Å
CB	HB2	sing	1.10Å	1.10Å
C	OXT	sing	1.36Å	1.32Å
C	O	doub	1.23Å	1.23Å
OXT	HXT	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OE1	CD	NE2	122.4°	123.6°
OE1	CD	CG	118.4°	123.7°
NE2	CD	CG	119.2°	112.7°
CD	NE2	HE21	108.0°	119.6°
CD	NE2	HE22	126.0°	120.9°
CD	CG	CA	112.8°	113.8°
CD	CG	HG3	108.4°	105.2°
CD	CG	HG2	107.6°	109.8°
HE21	NE2	HE22	126.0°	119.5°
CA	CG	HG3	108.4°	110.2°
CA	CG	HG2	107.7°	110.5°
CG	CA	N	108.9°	108.1°
CG	CA	CB	109.6°	112.7°
CG	CA	HA	109.6°	110.3°
HG3	CG	HG2	112.1°	107.0°
N	CA	CB	108.9°	107.6°
N	CA	HA	110.3°	108.2°
CA	N	H	109.5°	117.6°
CA	N	H2	109.4°	117.7°
CB	CA	HA	109.5°	109.7°
CA	CB	C	112.2°	112.7°
CA	CB	HB1	108.6°	111.4°
CA	CB	HB2	107.9°	110.7°
H	N	H2	109.5°	123.2°
C	CB	HB1	108.6°	110.4°
C	CB	HB2	108.0°	105.9°
CB	C	OXT	117.0°	113.1°
CB	C	O	119.0°	123.8°
HB1	CB	HB2	111.6°	105.4°
OXT	C	O	124.0°	123.2°
C	OXT	HXT	109.5°	115.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OE1	CD	NE2	CG	177.8°	177.7°
OE1	CD	NE2	HE21	177.8°	178.5°
OE1	CD	NE2	HE22	2.2°	1.4°
OE1	CD	CG	CA	72.0°	33.1°
OE1	CD	CG	HG3	47.9°	87.6°
OE1	CD	CG	HG2	169.4°	157.6°
CD	NE2	HE21	HE22	180.0°	179.9°
NE2	CD	CG	CA	110.1°	149.2°
NE2	CD	CG	HG3	129.9°	90.1°
NE2	CD	CG	HG2	8.5°	24.7°
CG	CD	NE2	HE21	0.0°	0.8°
CG	CD	NE2	HE22	180.0°	179.1°
CD	CG	CA	HG3	120.0°	117.9°
CD	CG	CA	HG2	118.5°	124.1°
CD	CG	HG3	HG2	118.6°	116.8°
CD	CG	CA	N	49.5°	58.2°
CD	CG	CA	CB	168.7°	176.9°
CD	CG	CA	HA	71.2°	60.0°
CA	CG	HG3	HG2	118.7°	120.1°
CG	CA	N	CB	119.5°	122.0°
CG	CA	N	HA	120.3°	119.5°
CG	CA	CB	HA	120.3°	123.4°
CG	CA	N	H	165.8°	77.1°
CG	CA	N	H2	74.2°	89.6°
CG	CA	CB	C	156.9°	63.4°
CG	CA	CB	HB1	36.8°	171.9°
CG	CA	CB	HB2	84.3°	55.0°
HG3	CG	CA	N	169.6°	176.1°
HG3	CG	CA	CB	71.3°	65.2°
HG3	CG	CA	HA	48.9°	57.9°
HG2	CG	CA	N	69.0°	66.0°
HG2	CG	CA	CB	50.1°	52.8°
HG2	CG	CA	HA	170.3°	175.8°
N	CA	CB	HA	120.7°	117.5°
CA	N	H	H2	120.0°	165.9°
N	CA	CB	C	84.1°	177.5°
N	CA	CB	HB1	155.9°	52.8°
N	CA	CB	HB2	34.8°	64.1°
CB	CA	N	H	74.6°	160.9°
CB	CA	N	H2	45.4°	32.4°
CA	CB	C	HB1	120.0°	125.3°
CA	CB	C	HB2	118.8°	121.2°
CA	CB	HB1	HB2	118.9°	120.1°
CA	CB	C	OXT	109.3°	145.6°
CA	CB	C	O	70.8°	35.3°
HA	CA	N	H	45.5°	42.4°
HA	CA	N	H2	165.5°	150.9°
HA	CA	CB	C	36.6°	60.0°
HA	CA	CB	HB1	83.4°	64.7°
HA	CA	CB	HB2	155.4°	178.4°
C	CB	HB1	HB2	118.9°	113.9°
CB	C	OXT	O	179.9°	179.1°
CB	C	OXT	HXT	179.9°	179.1°
HB1	CB	C	OXT	130.7°	89.1°
HB1	CB	C	O	49.2°	90.0°
HB2	CB	C	OXT	9.6°	24.5°
HB2	CB	C	O	170.3°	156.5°
O	C	OXT	HXT	0.0°	0.0°

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