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Summary Geometry Related PDB entries

M4X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.46Å	1.44Å
O1	C2	doub	1.22Å	1.24Å
N1	C2	sing	1.35Å	1.33Å
C2	C3	sing	1.47Å	1.48Å
N4	C8	trip	1.14Å	1.15Å
C9	C10	sing	1.40Å	1.40Å	Aromatic
C9	C7	doub	1.39Å	1.40Å	Aromatic
C8	C7	sing	1.43Å	1.44Å
C3	C10	doub	1.41Å	1.40Å	Aromatic
C3	C4	sing	1.40Å	1.41Å	Aromatic
C10	N3	sing	1.37Å	1.39Å	Aromatic
C7	C6	sing	1.41Å	1.40Å	Aromatic
C4	N2	doub	1.31Å	1.34Å	Aromatic
N3	N2	sing	1.40Å	1.37Å	Aromatic
N3	C5	sing	1.36Å	1.37Å	Aromatic
C6	C5	doub	1.35Å	1.35Å	Aromatic
N1	H4	sing	0.97Å	1.00Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C9	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	122.1°	120.0°
C1	N1	H4	119.0°	120.0°
N1	C1	H1	109.5°	109.4°
N1	C1	H2	109.5°	109.5°
N1	C1	H3	109.4°	109.5°
O1	C2	N1	120.2°	120.0°
O1	C2	C3	121.5°	120.0°
N1	C2	C3	118.2°	120.0°
C2	N1	H4	119.0°	120.0°
C2	C3	C10	126.1°	126.6°
C2	C3	C4	128.5°	126.5°
N4	C8	C7	178.6°	180.0°
C10	C9	C7	117.8°	119.0°
C9	C10	C3	135.5°	132.7°
C9	C10	N3	118.7°	120.4°
C10	C9	H8	121.1°	120.5°
C9	C7	C8	120.1°	120.5°
C9	C7	C6	120.8°	119.0°
C7	C9	H8	121.1°	120.5°
C8	C7	C6	119.0°	120.5°
C10	C3	C4	105.4°	106.9°
C3	C10	N3	105.9°	106.9°
C3	C4	N2	111.7°	108.8°
C3	C4	H5	124.2°	125.6°
C10	N3	N2	111.7°	107.8°
C10	N3	C5	123.2°	120.5°
C7	C6	C5	120.8°	120.2°
C7	C6	H7	119.6°	119.9°
C4	N2	N3	105.4°	109.6°
N2	C4	H5	124.1°	125.6°
N2	N3	C5	125.1°	131.8°
N3	C5	C6	118.6°	121.0°
N3	C5	H6	120.7°	119.5°
C6	C5	H6	120.7°	119.5°
C5	C6	H7	119.6°	119.9°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	O1	12.0°	0.3°
C1	N1	C2	H4	180.0°	179.8°
C1	N1	C2	C3	171.3°	179.7°
N1	C1	H1	H2	120.0°	120.0°
N1	C1	H1	H3	120.0°	120.0°
N1	C1	H2	H3	120.0°	120.0°
O1	C2	N1	C3	176.7°	180.0°
O1	C2	C3	C10	14.6°	0.0°
O1	C2	C3	C4	166.5°	179.9°
O1	C2	N1	H4	167.9°	180.0°
N1	C2	C3	C10	168.8°	180.0°
N1	C2	C3	C4	10.1°	0.1°
C2	N1	C1	H1	180.0°	180.0°
C2	N1	C1	H2	60.0°	60.0°
C2	N1	C1	H3	60.0°	60.0°
C2	C3	C10	C9	0.7°	0.4°
C2	C3	C10	C4	179.1°	179.9°
C2	C3	C10	N3	180.0°	179.9°
C2	C3	C4	N2	179.4°	180.0°
C3	C2	N1	H4	8.7°	0.0°
C2	C3	C4	H5	0.5°	0.1°
N4	C8	C7	C9	88.6°	179.8°
N4	C8	C7	C6	95.1°	0.2°
C10	C9	C7	H8	180.0°	179.5°
C10	C9	C7	C8	178.4°	179.8°
C9	C10	C3	N3	179.3°	179.7°
C9	C10	C3	C4	179.8°	179.7°
C10	C9	C7	C6	2.2°	0.2°
C9	C10	N3	N2	179.3°	179.7°
C9	C10	N3	C5	1.4°	0.5°
C9	C7	C8	C6	176.3°	180.0°
C7	C9	C10	C3	178.8°	179.9°
C7	C9	C10	N3	0.5°	0.5°
C9	C7	C6	C5	2.2°	0.0°
C9	C7	C6	H7	177.8°	179.9°
C8	C7	C6	C5	178.5°	180.0°
C8	C7	C6	H7	1.5°	0.1°
C8	C7	C9	H8	1.5°	0.3°
C10	C3	C4	N2	0.4°	0.0°
C3	C10	N3	N2	1.2°	0.0°
C3	C10	N3	C5	179.2°	179.8°
C10	C3	C4	H5	179.6°	180.0°
C3	C10	C9	H8	1.2°	0.4°
C4	C3	C10	N3	0.9°	0.0°
C3	C4	N2	H5	180.0°	179.9°
C3	C4	N2	N3	0.3°	0.0°
C10	N3	N2	C4	1.0°	0.0°
C10	N3	N2	C5	177.9°	179.8°
C10	N3	C5	C6	1.4°	0.2°
C10	N3	C5	H6	178.6°	179.7°
N3	C10	C9	H8	179.5°	180.0°
C7	C6	C5	N3	0.4°	0.0°
C7	C6	C5	H7	180.0°	179.9°
C7	C6	C5	H6	179.6°	179.9°
C6	C7	C9	H8	177.8°	179.7°
C4	N2	N3	C5	178.9°	179.8°
N2	N3	C5	C6	179.1°	180.0°
N3	N2	C4	H5	179.7°	180.0°
N2	N3	C5	H6	0.9°	0.1°
N3	C5	C6	H6	180.0°	180.0°
N3	C5	C6	H7	179.6°	180.0°
H4	N1	C1	H1	0.1°	0.2°
H4	N1	C1	H2	120.0°	119.7°
H4	N1	C1	H3	120.0°	120.3°
H6	C5	C6	H7	0.4°	0.0°
H1	C1	H2	H3	120.0°	120.0°

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PDB entries from 2024-07-17

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