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Summary Geometry Related PDB entries

SHO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CA	CB	sing	1.53Å	1.52Å
CA	C	sing	1.51Å	1.52Å
CA	HAC1	sing	1.09Å	1.12Å
CA	HAC2	sing	1.09Å	1.11Å
CB	CG	sing	1.53Å	1.51Å
CB	HBC1	sing	1.09Å	1.11Å
CB	HBC2	sing	1.09Å	1.11Å
CG	CD	sing	1.53Å	1.52Å
CG	HGC1	sing	1.09Å	1.11Å
CG	HGC2	sing	1.09Å	1.12Å
CD	OE1	sing	1.43Å	1.42Å
CD	HDC1	sing	1.09Å	1.11Å
CD	HDC2	sing	1.09Å	1.11Å
C	O	sing	1.34Å	1.25Å
C	OXT	doub	1.21Å	1.25Å
O	H	sing	0.97Å	0.95Å
OE1	HE1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CB	CA	C	111.3°	109.6°
CB	CA	HAC1	111.5°	109.5°
CB	CA	HAC2	111.5°	109.5°
CA	CB	CG	111.4°	109.5°
CA	CB	HBC1	111.5°	109.5°
CA	CB	HBC2	111.5°	109.5°
C	CA	HAC1	111.5°	109.4°
C	CA	HAC2	111.5°	109.4°
CA	C	O	118.4°	120.1°
CA	C	OXT	118.5°	119.9°
HAC1	CA	HAC2	98.8°	109.4°
CG	CB	HBC1	111.5°	109.5°
CG	CB	HBC2	111.5°	109.5°
CB	CG	CD	118.0°	109.5°
CB	CG	HGC1	109.2°	109.4°
CB	CG	HGC2	109.1°	109.4°
HBC1	CB	HBC2	98.9°	109.4°
CD	CG	HGC1	109.1°	109.5°
CD	CG	HGC2	109.2°	109.5°
CG	CD	OE1	111.1°	109.5°
CG	CD	HDC1	111.6°	109.5°
CG	CD	HDC2	111.6°	109.5°
HGC1	CG	HGC2	101.0°	109.4°
OE1	CD	HDC1	111.6°	109.4°
OE1	CD	HDC2	111.6°	109.4°
CD	OE1	HE1	111.2°	106.9°
HDC1	CD	HDC2	98.8°	109.4°
O	C	OXT	123.1°	120.0°
C	O	H	118.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CB	CA	C	HAC1	125.3°	120.1°
CB	CA	C	HAC2	125.3°	120.1°
CB	CA	HAC1	HAC2	117.4°	120.0°
CA	CB	CG	HBC1	125.3°	120.0°
CA	CB	CG	HBC2	125.3°	120.0°
CA	CB	HBC1	HBC2	117.4°	120.0°
CA	CB	CG	CD	105.2°	180.0°
CA	CB	CG	HGC1	129.5°	60.0°
CA	CB	CG	HGC2	20.1°	60.0°
CB	CA	C	O	10.9°	180.0°
CB	CA	C	OXT	169.2°	0.0°
C	CA	HAC1	HAC2	117.4°	119.9°
C	CA	CB	CG	170.8°	180.0°
C	CA	CB	HBC1	63.9°	60.0°
C	CA	CB	HBC2	45.5°	60.0°
CA	C	O	OXT	179.9°	180.0°
CA	C	O	H	180.0°	180.0°
HAC1	CA	CB	CG	45.5°	60.0°
HAC1	CA	CB	HBC1	170.8°	180.0°
HAC1	CA	CB	HBC2	79.7°	60.0°
HAC1	CA	C	O	114.4°	59.9°
HAC1	CA	C	OXT	65.6°	120.1°
HAC2	CA	CB	CG	63.9°	60.0°
HAC2	CA	CB	HBC1	61.3°	60.0°
HAC2	CA	CB	HBC2	170.8°	180.0°
HAC2	CA	C	O	136.2°	59.9°
HAC2	CA	C	OXT	43.9°	120.1°
CG	CB	HBC1	HBC2	117.4°	120.0°
CB	CG	CD	HGC1	125.3°	120.0°
CB	CG	CD	HGC2	125.2°	120.0°
CB	CG	HGC1	HGC2	114.9°	119.9°
CB	CG	CD	OE1	119.9°	180.0°
CB	CG	CD	HDC1	5.4°	60.0°
CB	CG	CD	HDC2	114.9°	60.0°
HBC1	CB	CG	CD	20.1°	60.0°
HBC1	CB	CG	HGC1	105.2°	180.0°
HBC1	CB	CG	HGC2	145.3°	60.1°
HBC2	CB	CG	CD	129.5°	60.0°
HBC2	CB	CG	HGC1	4.3°	60.1°
HBC2	CB	CG	HGC2	105.2°	180.0°
CD	CG	HGC1	HGC2	114.9°	120.0°
CG	CD	OE1	HDC1	125.3°	120.1°
CG	CD	OE1	HDC2	125.3°	120.1°
CG	CD	HDC1	HDC2	117.5°	120.0°
CG	CD	OE1	HE1	180.0°	180.0°
HGC1	CG	CD	OE1	5.4°	60.0°
HGC1	CG	CD	HDC1	130.7°	180.0°
HGC1	CG	CD	HDC2	119.9°	60.0°
HGC2	CG	CD	OE1	114.9°	60.0°
HGC2	CG	CD	HDC1	119.8°	60.0°
HGC2	CG	CD	HDC2	10.4°	180.0°
OE1	CD	HDC1	HDC2	117.5°	119.9°
HDC1	CD	OE1	HE1	54.7°	59.9°
HDC2	CD	OE1	HE1	54.8°	59.9°
OXT	C	O	H	0.0°	0.0°

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PDB entries from 2024-07-17

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