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Summary Geometry Related PDB entries

A1DO0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.43Å
C2	O1	sing	1.45Å	1.44Å
O1	C3	sing	1.35Å	1.33Å
C3	O2	doub	1.21Å	1.21Å
C3	N1	sing	1.35Å	1.36Å
N1	C4	sing	1.39Å	1.38Å
C4	S1	sing	1.71Å	1.73Å	Aromatic
S1	C5	sing	1.75Å	1.72Å	Aromatic
C5	C6	doub	1.33Å	1.38Å	Aromatic
C6	C7	sing	1.45Å	1.43Å	Aromatic
C7	C8	sing	1.47Å	1.47Å
C8	O3	doub	1.22Å	1.23Å
C8	N2	sing	1.35Å	1.32Å
C4	C7	doub	1.37Å	1.38Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
N1	H6	sing	0.97Å	1.00Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
N2	H10	sing	0.97Å	1.00Å
N2	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	O1	105.9°	109.5°
C2	C1	H1	109.5°	109.4°
C2	C1	H2	109.4°	109.4°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	110.4°	109.5°
C1	C2	H5	110.4°	109.5°
C2	O1	C3	112.9°	117.1°
O1	C2	H4	110.4°	109.4°
O1	C2	H5	110.3°	109.5°
O1	C3	O2	125.5°	119.9°
O1	C3	N1	108.1°	120.0°
O2	C3	N1	125.9°	120.0°
C3	N1	C4	125.2°	120.0°
C3	N1	H6	117.4°	120.0°
N1	C4	S1	122.4°	124.7°
N1	C4	C7	125.7°	124.6°
C4	N1	H6	117.4°	120.0°
C4	S1	C5	91.1°	92.5°
S1	C4	C7	111.8°	110.7°
S1	C5	C6	112.9°	110.8°
S1	C5	H7	123.6°	124.6°
C5	C6	C7	110.9°	113.2°
C6	C5	H7	123.6°	124.6°
C5	C6	H8	124.5°	123.4°
C6	C7	C8	129.2°	123.6°
C6	C7	C4	112.3°	112.8°
C7	C6	H8	124.6°	123.4°
C7	C8	O3	119.3°	120.0°
C7	C8	N2	117.6°	120.0°
C8	C7	C4	118.4°	123.6°
O3	C8	N2	123.1°	120.0°
C8	N2	H10	120.0°	120.0°
C8	N2	H9	120.0°	120.0°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.5°	109.5°
H4	C2	H5	109.5°	109.4°
H10	N2	H9	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	O1	H4	119.4°	120.1°
C1	C2	O1	H5	119.4°	120.0°
C1	C2	O1	C3	169.9°	180.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	H4	H5	121.7°	120.0°
C2	O1	C3	O2	52.7°	0.1°
C2	O1	C3	N1	119.9°	180.0°
O1	C2	C1	H1	180.0°	60.0°
O1	C2	C1	H2	60.0°	60.0°
O1	C2	C1	H3	60.0°	179.9°
O1	C2	H4	H5	121.6°	120.0°
O1	C3	O2	N1	171.4°	180.0°
O1	C3	N1	C4	169.7°	180.0°
C3	O1	C2	H4	50.4°	60.0°
C3	O1	C2	H5	70.7°	59.9°
O1	C3	N1	H6	10.3°	0.0°
O2	C3	N1	C4	2.9°	0.0°
O2	C3	N1	H6	177.1°	180.0°
C3	N1	C4	H6	180.0°	179.9°
C3	N1	C4	S1	15.2°	0.1°
C3	N1	C4	C7	161.0°	179.7°
N1	C4	S1	C7	176.7°	179.7°
N1	C4	S1	C5	179.6°	179.9°
N1	C4	C7	C6	174.2°	179.9°
N1	C4	C7	C8	8.1°	0.1°
C4	S1	C5	C6	2.9°	0.0°
S1	C4	C7	C6	9.3°	0.4°
S1	C4	C7	C8	168.4°	179.7°
S1	C4	N1	H6	164.8°	180.0°
C4	S1	C5	H7	177.1°	180.0°
S1	C5	C6	H7	180.0°	180.0°
S1	C5	C6	C7	8.5°	0.2°
C5	S1	C4	C7	3.8°	0.3°
S1	C5	C6	H8	171.5°	180.0°
C5	C6	C7	H8	180.0°	179.8°
C5	C6	C7	C8	166.0°	179.7°
C5	C6	C7	C4	11.4°	0.4°
C6	C7	C8	C4	177.2°	179.8°
C6	C7	C8	O3	165.5°	179.9°
C6	C7	C8	N2	12.4°	0.1°
C7	C6	C5	H7	171.5°	179.8°
C7	C8	O3	N2	177.8°	180.0°
C8	C7	C6	H8	14.0°	0.1°
C7	C8	N2	H10	177.8°	0.1°
C7	C8	N2	H9	2.2°	180.0°
O3	C8	C7	C4	11.7°	0.1°
O3	C8	N2	H10	0.0°	179.9°
O3	C8	N2	H9	180.0°	0.0°
N2	C8	C7	C4	170.4°	180.0°
C8	N2	H10	H9	180.0°	179.9°
C7	C4	N1	H6	19.0°	0.4°
C4	C7	C6	H8	168.6°	179.8°
H1	C1	H2	H3	120.0°	120.0°
H1	C1	C2	H4	60.5°	60.0°
H1	C1	C2	H5	60.6°	180.0°
H2	C1	C2	H4	59.5°	180.0°
H2	C1	C2	H5	179.4°	60.0°
H3	C1	C2	H4	179.5°	59.9°
H3	C1	C2	H5	59.4°	60.0°
H7	C5	C6	H8	8.5°	0.0°

258009

PDB entries from 2026-08-12

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