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Summary Geometry Related PDB entries

M1A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N9	C8	sing	1.36Å	1.37Å	Aromatic
N9	C4	sing	1.37Å	1.39Å	Aromatic
N9	HN9	sing	0.97Å	1.02Å
C8	N7	doub	1.30Å	1.31Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.35Å	1.40Å	Aromatic
C5	C6	sing	1.41Å	1.43Å	Aromatic
C5	C4	doub	1.41Å	1.38Å	Aromatic
C6	N6	sing	1.38Å	1.32Å
C6	N1	doub	1.33Å	1.33Å	Aromatic
N6	HN61	sing	0.97Å	1.02Å
N6	HN62	sing	0.97Å	1.02Å
N1	C2	sing	1.32Å	1.34Å	Aromatic
N1	CN1	sing	1.46Å	1.45Å
C2	N3	doub	1.32Å	1.34Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	sing	1.33Å	1.37Å	Aromatic
CN1	H11	sing	1.09Å	1.12Å
CN1	H12	sing	1.09Å	1.11Å
CN1	H13	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	N9	C4	105.4°	107.5°
C8	N9	HN9	126.8°	126.2°
N9	C8	N7	114.1°	109.9°
N9	C8	H8	125.0°	125.0°
C4	N9	HN9	127.8°	126.3°
N9	C4	C5	106.4°	106.0°
N9	C4	N3	127.2°	134.9°
N7	C8	H8	121.0°	125.1°
C8	N7	C5	104.4°	109.5°
N7	C5	C6	132.8°	134.7°
N7	C5	C4	109.8°	107.2°
C6	C5	C4	117.4°	118.2°
C5	C6	N6	124.5°	120.8°
C5	C6	N1	117.6°	118.5°
C5	C4	N3	126.4°	119.1°
N6	C6	N1	117.9°	120.8°
C6	N6	HN61	124.5°	120.0°
C6	N6	HN62	106.8°	119.9°
C6	N1	C2	118.7°	121.2°
C6	N1	CN1	116.7°	119.4°
HN61	N6	HN62	106.9°	120.1°
C2	N1	CN1	124.6°	119.4°
N1	C2	N3	130.4°	122.4°
N1	C2	H2	114.4°	118.8°
N1	CN1	H11	116.7°	109.5°
N1	CN1	H12	109.6°	109.5°
N1	CN1	H13	109.5°	109.5°
N3	C2	H2	115.1°	118.8°
C2	N3	C4	109.4°	120.7°
H11	CN1	H12	109.6°	109.5°
H11	CN1	H13	109.5°	109.5°
H12	CN1	H13	100.6°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	N9	C4	HN9	179.9°	180.0°
N9	C8	N7	H8	180.0°	179.9°
N9	C8	N7	C5	0.3°	0.0°
C8	N9	C4	C5	0.4°	0.0°
C8	N9	C4	N3	178.9°	180.0°
C4	N9	C8	N7	0.4°	0.0°
C4	N9	C8	H8	179.6°	179.9°
N9	C4	C5	N7	0.3°	0.0°
N9	C4	C5	C6	179.9°	179.7°
N9	C4	C5	N3	179.3°	180.0°
N9	C4	N3	C2	179.7°	180.0°
HN9	N9	C8	N7	179.5°	180.0°
HN9	N9	C8	H8	0.5°	0.0°
HN9	N9	C4	C5	179.5°	180.0°
HN9	N9	C4	N3	1.2°	0.0°
C8	N7	C5	C6	179.6°	179.7°
C8	N7	C5	C4	0.0°	0.0°
H8	C8	N7	C5	179.8°	179.9°
N7	C5	C6	C4	179.5°	179.6°
N7	C5	C6	N6	1.1°	0.0°
N7	C5	C6	N1	179.9°	179.9°
N7	C5	C4	N3	179.1°	180.0°
C5	C6	N6	N1	178.8°	179.9°
C5	C6	N6	HN61	179.9°	0.0°
C5	C6	N6	HN62	54.8°	180.0°
C5	C6	N1	C2	0.6°	0.5°
C5	C6	N1	CN1	179.8°	179.7°
C6	C5	C4	N3	0.6°	0.3°
C4	C5	C6	N6	178.4°	179.6°
C4	C5	C6	N1	0.4°	0.5°
C5	C4	N3	C2	1.2°	0.1°
C6	N6	HN61	HN62	125.2°	180.0°
N6	C6	N1	C2	178.3°	179.7°
N6	C6	N1	CN1	1.3°	0.1°
N1	C6	N6	HN61	1.2°	179.9°
N1	C6	N6	HN62	126.4°	0.2°
C6	N1	C2	CN1	179.6°	179.8°
C6	N1	C2	N3	0.1°	0.3°
C6	N1	C2	H2	179.9°	179.8°
C6	N1	CN1	H11	180.0°	90.2°
C6	N1	CN1	H12	54.7°	29.8°
C6	N1	CN1	H13	54.8°	149.7°
N1	C2	N3	H2	180.0°	180.0°
N1	C2	N3	C4	1.0°	0.1°
C2	N1	CN1	H11	0.5°	90.0°
C2	N1	CN1	H12	124.9°	150.0°
C2	N1	CN1	H13	125.6°	30.0°
CN1	N1	C2	N3	179.5°	180.0°
CN1	N1	C2	H2	0.6°	0.0°
N1	CN1	H11	H12	125.3°	120.0°
N1	CN1	H11	H13	125.2°	120.0°
N1	CN1	H12	H13	115.3°	120.0°
H2	C2	N3	C4	179.0°	180.0°
H11	CN1	H12	H13	115.4°	120.0°

230744

PDB entries from 2025-01-29

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