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Summary Geometry Related PDB entries

A1ISY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	N2	sing	1.40Å	1.40Å	Aromatic
N1	C9	doub	1.31Å	1.32Å	Aromatic
N2	C1	sing	1.35Å	1.33Å	Aromatic
C9	N	sing	1.40Å	1.33Å
C9	C2	sing	1.41Å	1.44Å	Aromatic
C1	C	sing	1.51Å	1.49Å
C1	C2	doub	1.36Å	1.45Å	Aromatic
C2	C3	sing	1.48Å	1.45Å
C3	C4	doub	1.39Å	1.39Å	Aromatic
C3	C8	sing	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.40Å	Aromatic
C7	C6	sing	1.38Å	1.40Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
N	H7	sing	0.97Å	1.00Å
N	H8	sing	0.97Å	1.00Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
N2	H6	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	N1	C9	104.4°	108.5°
N1	N2	C1	114.4°	108.4°
N1	N2	H6	122.8°	125.8°
N1	C9	N	123.1°	126.0°
N1	C9	C2	112.0°	107.9°
N2	C1	C	127.7°	126.2°
N2	C1	C2	105.2°	107.7°
C1	N2	H6	122.8°	125.8°
N	C9	C2	124.8°	126.1°
C9	N	H7	109.5°	120.0°
C9	N	H8	109.5°	120.0°
C9	C2	C1	104.0°	107.5°
C9	C2	C3	129.0°	126.2°
C	C1	C2	127.1°	126.1°
C1	C	H9	109.5°	109.4°
C1	C	H10	109.5°	109.5°
C1	C	H11	109.5°	109.5°
C1	C2	C3	127.0°	126.3°
C2	C3	C4	118.4°	120.1°
C2	C3	C8	118.5°	120.1°
C4	C3	C8	123.1°	119.8°
C3	C4	C5	118.7°	119.9°
C3	C4	H1	120.6°	120.1°
C3	C8	C7	118.8°	119.8°
C3	C8	H5	120.6°	120.1°
C4	C5	C6	118.3°	120.1°
C5	C4	H1	120.6°	120.0°
C4	C5	H2	120.9°	120.0°
C8	C7	C6	118.3°	120.1°
C8	C7	H4	120.9°	119.9°
C7	C8	H5	120.6°	120.1°
C5	C6	C7	122.8°	120.2°
C6	C5	H2	120.8°	119.9°
C5	C6	H3	118.6°	119.9°
C7	C6	H3	118.6°	119.9°
C6	C7	H4	120.9°	120.0°
H7	N	H8	109.4°	120.1°
H9	C	H10	109.5°	109.5°
H9	C	H11	109.4°	109.4°
H10	C	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	N2	C1	H6	180.0°	179.6°
N2	N1	C9	N	178.7°	179.8°
N2	N1	C9	C2	2.1°	0.2°
N1	N2	C1	C	179.6°	179.9°
N1	N2	C1	C2	2.5°	0.4°
C9	N1	N2	C1	2.9°	0.4°
N1	C9	N	C2	176.2°	179.9°
N1	C9	C2	C1	0.7°	0.0°
N1	C9	C2	C3	179.0°	180.0°
N1	C9	N	H7	0.0°	180.0°
N1	C9	N	H8	120.0°	0.1°
C9	N1	N2	H6	177.1°	180.0°
N2	C1	C2	C9	1.0°	0.3°
N2	C1	C	C2	176.5°	179.6°
N2	C1	C2	C3	179.2°	179.7°
N2	C1	C	H9	88.2°	90.4°
N2	C1	C	H10	151.8°	29.6°
N2	C1	C	H11	31.8°	149.7°
N	C9	C2	C1	177.3°	179.9°
N	C9	C2	C3	2.4°	0.1°
C9	N	H7	H8	120.0°	180.0°
C9	C2	C1	C	178.2°	179.9°
C9	C2	C1	C3	179.7°	180.0°
C9	C2	C3	C4	48.4°	65.0°
C9	C2	C3	C8	131.1°	114.8°
C2	C9	N	H7	176.2°	0.1°
C2	C9	N	H8	56.2°	180.0°
C	C1	C2	C3	2.1°	0.0°
C1	C	H9	H10	120.0°	120.0°
C1	C	H9	H11	120.0°	120.0°
C1	C	H10	H11	120.0°	120.1°
C	C1	N2	H6	0.4°	0.3°
C1	C2	C3	C4	131.9°	115.0°
C1	C2	C3	C8	48.5°	65.2°
C2	C1	C	H9	88.3°	90.0°
C2	C1	C	H10	31.7°	150.0°
C2	C1	C	H11	151.7°	29.9°
C2	C1	N2	H6	177.5°	180.0°
C2	C3	C4	C8	179.5°	179.8°
C2	C3	C4	C5	179.4°	180.0°
C2	C3	C8	C7	179.5°	179.6°
C2	C3	C4	H1	0.6°	0.0°
C2	C3	C8	H5	0.5°	0.0°
C3	C4	C5	H1	180.0°	180.0°
C4	C3	C8	C7	0.0°	0.6°
C3	C4	C5	C6	1.0°	0.0°
C3	C4	C5	H2	179.0°	180.0°
C4	C3	C8	H5	180.0°	179.7°
C8	C3	C4	C5	1.1°	0.3°
C3	C8	C7	H5	180.0°	179.6°
C3	C8	C7	C6	1.0°	0.6°
C8	C3	C4	H1	178.9°	179.7°
C3	C8	C7	H4	179.0°	179.7°
C4	C5	C6	H2	180.0°	180.0°
C4	C5	C6	C7	0.0°	0.0°
C4	C5	C6	H3	180.0°	180.0°
C8	C7	C6	C5	1.1°	0.3°
C8	C7	C6	H4	180.0°	179.6°
C8	C7	C6	H3	178.9°	179.6°
C5	C6	C7	H3	180.0°	180.0°
C6	C5	C4	H1	179.0°	180.0°
C5	C6	C7	H4	178.9°	179.9°
C7	C6	C5	H2	180.0°	180.0°
C6	C7	C8	H5	179.0°	179.7°
H1	C4	C5	H2	1.0°	0.0°
H2	C5	C6	H3	0.1°	0.0°
H3	C6	C7	H4	1.1°	0.0°
H4	C7	C8	H5	1.0°	0.1°
H9	C	H10	H11	120.0°	120.0°

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PDB entries from 2026-01-21

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