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Summary Geometry Related PDB entries

OD3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C3	doub	1.21Å	1.22Å
N1	C3	sing	1.32Å	1.37Å
N1	C1	sing	1.33Å	1.35Å
C3	C2	sing	1.51Å	1.51Å
C1	O1	doub	1.22Å	1.21Å
C1	S1	sing	1.77Å	1.76Å
C2	S1	sing	1.82Å	1.81Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N1	H3	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C3	N1	124.3°	123.1°
O2	C3	C2	125.9°	123.1°
C3	N1	C1	114.7°	121.2°
N1	C3	C2	109.8°	113.8°
C3	N1	H3	122.7°	119.4°
N1	C1	O1	124.8°	126.1°
N1	C1	S1	109.7°	107.7°
C1	N1	H3	122.6°	119.4°
C3	C2	S1	107.0°	103.0°
C3	C2	H1	110.1°	110.7°
C3	C2	H2	110.1°	110.8°
O1	C1	S1	125.4°	126.2°
C1	S1	C2	90.3°	94.3°
S1	C2	H1	110.1°	110.7°
S1	C2	H2	110.1°	110.7°
H1	C2	H2	109.5°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C3	N1	C2	178.3°	179.7°
O2	C3	N1	C1	155.7°	179.8°
O2	C3	C2	S1	174.1°	180.0°
O2	C3	C2	H1	66.3°	61.7°
O2	C3	C2	H2	54.5°	61.5°
O2	C3	N1	H3	24.3°	0.3°
C3	N1	C1	H3	180.0°	179.5°
C3	N1	C1	O1	148.1°	179.7°
C3	N1	C1	S1	32.6°	0.5°
N1	C3	C2	S1	7.7°	0.3°
N1	C3	C2	H1	112.0°	118.6°
N1	C3	C2	H2	127.3°	118.2°
C1	N1	C3	C2	26.0°	0.5°
N1	C1	O1	S1	179.2°	179.8°
N1	C1	S1	C2	22.2°	0.2°
C3	C2	S1	C1	7.9°	0.0°
C3	C2	S1	H1	119.6°	118.4°
C3	C2	S1	H2	119.6°	118.6°
C3	C2	H1	H2	121.1°	123.3°
C2	C3	N1	H3	153.9°	180.0°
O1	C1	S1	C2	158.5°	180.0°
O1	C1	N1	H3	31.9°	0.2°
C1	S1	C2	H1	127.5°	118.4°
C1	S1	C2	H2	111.7°	118.5°
S1	C1	N1	H3	147.4°	180.0°
S1	C2	H1	H2	121.1°	123.1°

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PDB entries from 2024-08-28

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