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Summary Geometry Related PDB entries

GQM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C10	sing	1.35Å	1.34Å	Aromatic
N1	N2	sing	1.40Å	1.35Å	Aromatic
C10	C9	doub	1.35Å	1.36Å	Aromatic
N2	C8	doub	1.32Å	1.34Å	Aromatic
C9	C8	sing	1.41Å	1.40Å	Aromatic
C8	C5	sing	1.48Å	1.47Å
C5	C4	doub	1.39Å	1.40Å	Aromatic
C5	C6	sing	1.40Å	1.40Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
O2	C6	sing	1.36Å	1.35Å
C6	C7	doub	1.38Å	1.38Å	Aromatic
C3	C2	doub	1.39Å	1.39Å	Aromatic
C7	C2	sing	1.39Å	1.39Å	Aromatic
C2	O1	sing	1.36Å	1.36Å
O1	C1	sing	1.43Å	1.42Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
O2	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	N1	N2	111.8°	108.1°
N1	C10	C9	107.6°	108.0°
C10	N1	H1	124.1°	126.0°
N1	C10	H4	126.2°	126.0°
N1	N2	C8	105.1°	108.1°
N2	N1	H1	124.1°	125.9°
C10	C9	C8	105.2°	107.8°
C9	C10	H4	126.2°	126.0°
C10	C9	H9	127.4°	126.1°
N2	C8	C9	110.4°	107.9°
N2	C8	C5	120.3°	126.1°
C9	C8	C5	129.3°	126.0°
C8	C9	H9	127.4°	126.1°
C8	C5	C4	120.6°	120.1°
C8	C5	C6	120.3°	120.1°
C4	C5	C6	119.1°	119.9°
C5	C4	C3	120.4°	120.0°
C5	C4	H2	119.8°	120.0°
C5	C6	O2	120.8°	120.1°
C5	C6	C7	120.5°	119.8°
C4	C3	C2	119.9°	120.2°
C3	C4	H2	119.8°	120.0°
C4	C3	H8	120.1°	119.9°
O2	C6	C7	118.8°	120.1°
C6	O2	H10	109.5°	114.0°
C6	C7	C2	119.7°	120.0°
C6	C7	H3	120.2°	119.9°
C3	C2	C7	120.6°	120.2°
C3	C2	O1	120.5°	119.9°
C2	C3	H8	120.1°	119.9°
C7	C2	O1	119.0°	119.9°
C2	C7	H3	120.1°	120.0°
C2	O1	C1	118.5°	117.0°
O1	C1	H5	109.5°	109.4°
O1	C1	H6	109.5°	109.4°
O1	C1	H7	109.4°	109.5°
H5	C1	H6	109.5°	109.5°
H5	C1	H7	109.5°	109.5°
H6	C1	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	N1	N2	H1	180.0°	179.8°
N1	C10	C9	H4	180.0°	180.0°
C10	N1	N2	C8	1.6°	0.0°
N1	C10	C9	C8	0.8°	0.0°
N1	C10	C9	H9	179.1°	179.9°
N2	N1	C10	C9	1.6°	0.0°
N1	N2	C8	C9	1.0°	0.0°
N1	N2	C8	C5	178.9°	180.0°
N2	N1	C10	H4	178.4°	180.0°
C10	C9	C8	N2	0.1°	0.0°
C10	C9	C8	H9	180.0°	180.0°
C10	C9	C8	C5	179.8°	180.0°
C9	C10	N1	H1	178.5°	179.8°
N2	C8	C9	C5	179.9°	180.0°
N2	C8	C5	C4	22.7°	180.0°
N2	C8	C5	C6	158.6°	0.1°
C8	N2	N1	H1	178.4°	179.8°
N2	C8	C9	H9	179.9°	179.9°
C9	C8	C5	C4	157.4°	0.0°
C9	C8	C5	C6	21.3°	179.9°
C8	C9	C10	H4	179.2°	180.0°
C8	C5	C4	C6	178.7°	180.0°
C8	C5	C4	C3	179.2°	180.0°
C8	C5	C6	O2	2.1°	0.0°
C8	C5	C6	C7	178.7°	180.0°
C8	C5	C4	H2	0.8°	0.3°
C5	C8	C9	H9	0.2°	0.1°
C5	C4	C3	H2	180.0°	179.8°
C4	C5	C6	O2	179.2°	180.0°
C4	C5	C6	C7	0.0°	0.0°
C5	C4	C3	C2	0.2°	0.0°
C5	C4	C3	H8	179.8°	179.7°
C6	C5	C4	C3	0.6°	0.0°
C5	C6	O2	C7	179.2°	180.0°
C5	C6	C7	C2	0.9°	0.1°
C6	C5	C4	H2	179.4°	179.8°
C5	C6	C7	H3	179.1°	180.0°
C5	C6	O2	H10	180.0°	89.9°
C4	C3	C2	H8	180.0°	179.7°
C4	C3	C2	C7	0.8°	0.1°
C4	C3	C2	O1	179.5°	180.0°
O2	C6	C7	C2	178.3°	179.9°
O2	C6	C7	H3	1.7°	0.0°
C6	C7	C2	C3	1.3°	0.1°
C6	C7	C2	H3	180.0°	179.9°
C6	C7	C2	O1	179.0°	180.0°
C7	C6	O2	H10	0.8°	90.0°
C3	C2	C7	O1	179.7°	179.9°
C3	C2	O1	C1	61.2°	0.1°
C2	C3	C4	H2	179.8°	179.8°
C3	C2	C7	H3	178.7°	180.0°
C7	C2	O1	C1	119.1°	180.0°
C7	C2	C3	H8	179.2°	179.7°
O1	C2	C7	H3	1.0°	0.1°
C2	O1	C1	H5	180.0°	60.0°
C2	O1	C1	H6	60.0°	59.9°
C2	O1	C1	H7	60.0°	180.0°
O1	C2	C3	H8	0.5°	0.2°
O1	C1	H5	H6	120.0°	119.9°
O1	C1	H5	H7	120.0°	120.0°
O1	C1	H6	H7	120.0°	120.0°
H1	N1	C10	H4	1.5°	0.2°
H2	C4	C3	H8	0.2°	0.0°
H4	C10	C9	H9	0.9°	0.1°
H5	C1	H6	H7	120.0°	120.1°

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PDB entries from 2024-07-17

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