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Summary Geometry Related PDB entries

4AZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OXT	C	doub	1.22Å	1.27Å
C	C1	sing	1.48Å	1.33Å
C	O	sing	1.35Å	1.19Å
O	HO	sing	0.97Å	0.95Å
C6	C1	doub	1.40Å	1.41Å	Aromatic
C1	C2	sing	1.40Å	1.44Å	Aromatic
N1	C7	sing	1.47Å	1.48Å
N1	HN1	sing	1.01Å	1.00Å
N1	HN1A	sing	1.01Å	1.00Å
C2	C3	doub	1.38Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C4	C3	sing	1.38Å	1.41Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C5	C4	doub	1.38Å	1.41Å	Aromatic
C4	C7	sing	1.51Å	1.51Å
C6	C5	sing	1.38Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OXT	C	C1	132.6°	120.0°
OXT	C	O	101.9°	120.0°
C1	C	O	125.5°	120.0°
C	C1	C6	122.5°	120.1°
C	C1	C2	118.7°	120.2°
C	O	HO	109.5°	117.0°
C6	C1	C2	118.8°	119.7°
C1	C6	C5	120.4°	119.9°
C1	C6	H6	119.8°	120.0°
C1	C2	C3	120.3°	119.8°
C1	C2	H2	119.8°	120.1°
C7	N1	HN1	109.5°	111.0°
C7	N1	HN1A	109.5°	110.9°
N1	C7	C4	110.6°	109.4°
N1	C7	H7	109.1°	109.5°
N1	C7	H7A	109.1°	109.4°
HN1	N1	HN1A	109.5°	111.0°
C3	C2	H2	119.9°	120.1°
C2	C3	C4	120.0°	120.2°
C2	C3	H3	120.0°	119.9°
C4	C3	H3	120.0°	119.9°
C3	C4	C5	120.0°	120.3°
C3	C4	C7	120.0°	119.8°
C5	C4	C7	120.1°	119.9°
C4	C5	C6	120.6°	120.1°
C4	C5	H5	119.7°	119.9°
C4	C7	H7	109.1°	109.5°
C4	C7	H7A	109.1°	109.4°
C6	C5	H5	119.7°	120.0°
C5	C6	H6	119.8°	120.0°
H7	C7	H7A	109.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OXT	C	C1	O	178.4°	179.8°
OXT	C	O	HO	0.0°	0.2°
OXT	C	C1	C6	1.2°	180.0°
OXT	C	C1	C2	179.0°	0.2°
C1	C	O	HO	178.8°	180.0°
C	C1	C6	C2	179.8°	179.8°
C	C1	C2	C3	180.0°	180.0°
C	C1	C2	H2	0.0°	0.0°
C	C1	C6	C5	180.0°	179.7°
C	C1	C6	H6	0.0°	0.1°
O	C	C1	C6	179.6°	0.2°
O	C	C1	C2	0.5°	180.0°
C6	C1	C2	C3	0.1°	0.2°
C6	C1	C2	H2	179.9°	179.8°
C1	C6	C5	C4	0.1°	0.5°
C1	C6	C5	H6	180.0°	179.7°
C1	C6	C5	H5	179.9°	179.8°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.1°	0.1°
C1	C2	C3	H3	179.9°	180.0°
C2	C1	C6	C5	0.2°	0.5°
C2	C1	C6	H6	179.8°	179.7°
C7	N1	HN1	HN1A	120.0°	123.9°
N1	C7	C4	C3	143.3°	90.0°
N1	C7	C4	C5	36.9°	90.0°
N1	C7	C4	H7	120.0°	120.0°
N1	C7	C4	H7A	120.0°	119.9°
N1	C7	H7	H7A	119.5°	120.0°
HN1	N1	C7	C4	180.0°	56.0°
HN1	N1	C7	H7	60.0°	176.0°
HN1	N1	C7	H7A	60.0°	63.9°
HN1A	N1	C7	C4	60.0°	179.9°
HN1A	N1	C7	H7	60.0°	60.1°
HN1A	N1	C7	H7A	180.0°	60.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.0°	0.1°
C2	C3	C4	C7	179.8°	180.0°
H2	C2	C3	C4	180.0°	179.9°
H2	C2	C3	H3	0.1°	0.0°
C3	C4	C5	C7	179.8°	180.0°
C3	C4	C5	C6	0.0°	0.2°
C3	C4	C5	H5	180.0°	179.9°
C3	C4	C7	H7	23.3°	30.0°
C3	C4	C7	H7A	96.7°	150.1°
H3	C3	C4	C5	180.0°	180.0°
H3	C3	C4	C7	0.2°	0.0°
C4	C5	C6	H5	180.0°	179.7°
C4	C5	C6	H6	179.9°	179.7°
C5	C4	C7	H7	156.9°	150.0°
C5	C4	C7	H7A	83.1°	29.9°
C7	C4	C5	C6	179.8°	179.7°
C7	C4	C5	H5	0.2°	0.0°
C4	C7	H7	H7A	119.5°	120.0°
H5	C5	C6	H6	0.1°	0.0°

246704

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