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Summary Geometry Related PDB entries

A1H9V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.46Å	1.46Å
N1	C2	sing	1.47Å	1.46Å
N1	S1	sing	1.66Å	1.63Å
S1	O1	doub	1.42Å	1.43Å
S1	O2	doub	1.42Å	1.43Å
S1	C3	sing	1.76Å	1.73Å
C3	C4	sing	1.40Å	1.40Å	Aromatic
C4	N2	doub	1.31Å	1.32Å	Aromatic
N2	N3	sing	1.40Å	1.35Å	Aromatic
N3	C5	sing	1.35Å	1.33Å	Aromatic
C3	C5	doub	1.35Å	1.36Å	Aromatic
N3	H8	sing	0.97Å	1.00Å
C4	H7	sing	1.08Å	1.08Å
C5	H9	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	114.6°	120.0°
C1	N1	S1	117.0°	120.0°
N1	C1	H1	109.5°	109.4°
N1	C1	H3	109.5°	109.5°
N1	C1	H2	109.5°	109.5°
C2	N1	S1	118.0°	120.0°
N1	C2	H5	109.5°	109.4°
N1	C2	H4	109.5°	109.4°
N1	C2	H6	109.5°	109.5°
N1	S1	O1	106.9°	106.4°
N1	S1	O2	106.9°	106.4°
N1	S1	C3	109.2°	107.2°
O1	S1	O2	119.3°	123.1°
O1	S1	C3	107.4°	106.5°
O2	S1	C3	106.9°	106.4°
S1	C3	C4	127.8°	126.0°
S1	C3	C5	126.7°	126.1°
C3	C4	N2	110.7°	108.2°
C4	C3	C5	105.5°	107.9°
C3	C4	H7	124.7°	125.9°
C4	N2	N3	104.6°	108.2°
N2	C4	H7	124.7°	125.9°
N2	N3	C5	112.9°	107.9°
N2	N3	H8	123.5°	126.1°
N3	C5	C3	106.3°	107.7°
C5	N3	H8	123.6°	126.0°
N3	C5	H9	126.9°	126.2°
C3	C5	H9	126.9°	126.1°
H1	C1	H3	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H3	C1	H2	109.5°	109.5°
H5	C2	H4	109.4°	109.5°
H5	C2	H6	109.5°	109.5°
H4	C2	H6	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	S1	144.0°	179.7°
C1	N1	S1	O1	93.7°	23.9°
C1	N1	S1	O2	35.1°	156.7°
C1	N1	S1	C3	150.4°	89.7°
N1	C1	H1	H3	120.0°	120.0°
N1	C1	H1	H2	120.0°	120.0°
N1	C1	H3	H2	120.0°	120.0°
C1	N1	C2	H5	180.0°	179.7°
C1	N1	C2	H4	60.0°	60.3°
C1	N1	C2	H6	60.0°	59.7°
C2	N1	S1	O1	123.2°	156.4°
C2	N1	S1	O2	108.0°	23.6°
C2	N1	S1	C3	7.3°	90.0°
C2	N1	C1	H1	180.0°	90.0°
C2	N1	C1	H3	60.0°	150.0°
C2	N1	C1	H2	60.0°	30.0°
N1	C2	H5	H4	120.0°	120.0°
N1	C2	H5	H6	120.0°	120.0°
N1	C2	H4	H6	120.0°	120.0°
N1	S1	O1	O2	121.3°	122.9°
N1	S1	O1	C3	117.1°	114.1°
N1	S1	O2	C3	116.8°	114.1°
N1	S1	C3	C4	102.7°	90.0°
N1	S1	C3	C5	78.4°	89.8°
S1	N1	C1	H1	35.7°	90.4°
S1	N1	C1	H3	84.3°	29.7°
S1	N1	C1	H2	155.7°	149.7°
S1	N1	C2	H5	36.1°	0.0°
S1	N1	C2	H4	156.0°	120.0°
S1	N1	C2	H6	84.0°	120.0°
O1	S1	O2	C3	122.0°	123.0°
O1	S1	C3	C4	141.7°	23.5°
O1	S1	C3	C5	37.2°	156.7°
O2	S1	C3	C4	12.5°	156.4°
O2	S1	C3	C5	166.3°	23.8°
S1	C3	C4	C5	179.1°	179.8°
S1	C3	C4	N2	179.6°	180.0°
S1	C3	C5	N3	179.8°	179.8°
S1	C3	C4	H7	0.4°	0.4°
S1	C3	C5	H9	0.2°	0.2°
C3	C4	N2	H7	180.0°	179.6°
C3	C4	N2	N3	0.2°	0.4°
C4	C3	C5	N3	0.7°	0.0°
C4	C3	C5	H9	179.3°	180.0°
C4	N2	N3	C5	0.3°	0.4°
N2	C4	C3	C5	0.6°	0.3°
C4	N2	N3	H8	179.7°	179.8°
N2	N3	C5	H8	180.0°	179.8°
N2	N3	C5	C3	0.7°	0.2°
N3	N2	C4	H7	179.9°	180.0°
N2	N3	C5	H9	179.3°	179.8°
N3	C5	C3	H9	180.0°	180.0°
C3	C5	N3	H8	179.3°	180.0°
C5	C3	C4	H7	179.5°	179.8°
H8	N3	C5	H9	0.7°	0.0°
H1	C1	H3	H2	120.0°	120.0°
H5	C2	H4	H6	120.0°	120.0°

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PDB entries from 2024-11-13

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