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Summary Geometry Related PDB entries

PGR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.58Å
C1	O1	sing	1.43Å	1.43Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.53Å
C2	O2	sing	1.43Å	1.38Å
C2	H2	sing	1.09Å	1.12Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
C3	H33	sing	1.09Å	1.11Å
O1	HO1	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	104.7°	109.5°
C2	C1	H11	114.0°	109.4°
C2	C1	H12	114.0°	109.5°
C1	C2	C3	103.8°	109.5°
C1	C2	O2	101.6°	109.5°
C1	C2	H2	120.9°	109.4°
O1	C1	H11	114.0°	109.4°
O1	C1	H12	114.0°	109.5°
C1	O1	HO1	104.7°	106.9°
H11	C1	H12	96.5°	109.5°
C3	C2	O2	117.9°	109.6°
C3	C2	H2	105.7°	109.4°
C2	C3	H31	103.8°	109.5°
C2	C3	H32	114.3°	109.5°
C2	C3	H33	114.3°	109.4°
O2	C2	H2	107.7°	109.4°
C2	O2	HO2	101.6°	106.7°
H31	C3	H32	114.4°	109.5°
H31	C3	H33	114.4°	109.4°
H32	C3	H33	96.1°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	H11	125.3°	120.0°
C2	C1	O1	H12	125.3°	120.1°
C2	C1	H11	H12	120.0°	120.0°
C1	C2	C3	O2	111.4°	120.1°
C1	C2	C3	H2	128.2°	119.9°
C1	C2	O2	H2	128.1°	119.9°
C1	C2	C3	H31	180.0°	180.0°
C1	C2	C3	H32	54.7°	59.9°
C1	C2	C3	H33	54.7°	60.1°
C2	C1	O1	HO1	180.0°	180.0°
C1	C2	O2	HO2	180.0°	60.1°
O1	C1	H11	H12	119.9°	120.0°
O1	C1	C2	C3	126.3°	180.0°
O1	C1	C2	O2	110.8°	59.9°
O1	C1	C2	H2	8.2°	60.0°
H11	C1	C2	C3	108.4°	60.1°
H11	C1	C2	O2	14.5°	60.1°
H11	C1	C2	H2	133.4°	NaN°
H11	C1	O1	HO1	54.7°	60.1°
H12	C1	C2	C3	1.1°	59.9°
H12	C1	C2	O2	124.0°	180.0°
H12	C1	C2	H2	117.0°	60.0°
H12	C1	O1	HO1	54.8°	59.9°
C3	C2	O2	H2	119.3°	119.9°
C2	C3	H31	H32	125.2°	120.1°
C2	C3	H31	H33	125.3°	119.9°
C2	C3	H32	H33	120.2°	119.9°
C3	C2	O2	HO2	67.4°	60.0°
O2	C2	C3	H31	68.6°	59.9°
O2	C2	C3	H32	166.2°	180.0°
O2	C2	C3	H33	56.7°	60.0°
H2	C2	C3	H31	51.7°	60.1°
H2	C2	C3	H32	73.5°	60.1°
H2	C2	C3	H33	177.0°	180.0°
H2	C2	O2	HO2	51.9°	180.0°
H31	C3	H32	H33	120.3°	119.9°

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PDB entries from 2024-11-06

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