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Summary Geometry Related PDB entries

KUF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	1.37Å	1.33Å	Aromatic
C4	C5	doub	1.40Å	1.42Å	Aromatic
C3	C2	doub	1.39Å	1.34Å	Aromatic
C12	C11	doub	1.39Å	1.40Å	Aromatic
C12	C2	sing	1.38Å	1.42Å	Aromatic
C5	C11	sing	1.41Å	1.44Å	Aromatic
C5	C6	sing	1.46Å	1.45Å
C11	C9	sing	1.47Å	1.49Å
C2	C1	sing	1.51Å	1.46Å
C6	C7	doub	1.34Å	1.35Å
C7	N8	sing	1.36Å	1.39Å
C9	N8	sing	1.35Å	1.38Å
C9	O10	doub	1.22Å	1.23Å
C4	H4	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
C1	H13C	sing	1.09Å	1.10Å
C7	H7	sing	1.08Å	1.08Å
N8	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	C5	118.9°	119.6°
C4	C3	C2	118.7°	120.9°
C3	C4	H4	120.5°	120.2°
C4	C3	H3	120.7°	119.5°
C4	C5	C11	122.9°	119.7°
C4	C5	C6	117.1°	122.0°
C5	C4	H4	120.5°	120.2°
C3	C2	C12	126.9°	120.8°
C3	C2	C1	103.0°	119.6°
C2	C3	H3	120.7°	119.6°
C11	C12	C2	116.2°	119.4°
C12	C11	C5	116.4°	119.6°
C12	C11	C9	121.3°	122.1°
C11	C12	H12	121.9°	120.2°
C12	C2	C1	130.1°	119.6°
C2	C12	H12	121.9°	120.4°
C11	C5	C6	120.0°	118.4°
C5	C11	C9	122.3°	118.3°
C5	C6	C7	115.9°	119.4°
C5	C6	H6	122.0°	120.3°
C11	C9	N8	111.8°	119.2°
C11	C9	O10	125.2°	120.4°
C2	C1	H11C	109.5°	109.5°
C2	C1	H12C	109.5°	109.5°
C2	C1	H13C	109.4°	109.4°
C6	C7	N8	123.8°	122.4°
C7	C6	H6	122.0°	120.3°
C6	C7	H7	118.1°	118.8°
C7	N8	C9	126.1°	122.3°
N8	C7	H7	118.1°	118.8°
C7	N8	H8	117.0°	118.9°
N8	C9	O10	123.0°	120.4°
C9	N8	H8	116.9°	118.8°
H11C	C1	H12C	109.5°	109.5°
H11C	C1	H13C	109.5°	109.4°
H12C	C1	H13C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	H4	180.0°	179.7°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C12	1.4°	0.0°
C3	C4	C5	C11	2.0°	0.0°
C3	C4	C5	C6	178.1°	180.0°
C4	C3	C2	C1	178.2°	180.0°
C5	C4	C3	C2	2.3°	0.0°
C4	C5	C11	C12	0.6°	0.0°
C4	C5	C11	C6	179.9°	180.0°
C4	C5	C11	C9	179.5°	180.0°
C4	C5	C6	C7	178.1°	180.0°
C5	C4	C3	H3	177.6°	180.0°
C4	C5	C6	H6	1.9°	0.0°
C3	C2	C12	C11	0.1°	0.0°
C3	C2	C12	C1	179.5°	180.0°
C2	C3	C4	H4	177.7°	179.7°
C3	C2	C12	H12	179.9°	179.9°
C3	C2	C1	H11C	90.1°	90.0°
C3	C2	C1	H12C	149.9°	150.0°
C3	C2	C1	H13C	29.9°	29.9°
C11	C12	C2	H12	180.0°	179.9°
C12	C11	C5	C9	179.0°	180.0°
C12	C11	C5	C6	179.5°	180.0°
C11	C12	C2	C1	179.6°	180.0°
C12	C11	C9	N8	178.5°	180.0°
C12	C11	C9	O10	1.0°	0.0°
C2	C12	C11	C5	0.5°	0.0°
C2	C12	C11	C9	178.5°	180.0°
C12	C2	C3	H3	178.6°	180.0°
C12	C2	C1	H11C	90.3°	90.1°
C12	C2	C1	H12C	29.7°	30.0°
C12	C2	C1	H13C	149.7°	150.0°
C11	C5	C6	C7	2.0°	0.0°
C5	C11	C9	N8	0.4°	0.0°
C5	C11	C9	O10	179.9°	180.0°
C11	C5	C4	H4	178.0°	179.7°
C5	C11	C12	H12	179.5°	179.9°
C11	C5	C6	H6	178.0°	180.0°
C6	C5	C11	C9	0.6°	0.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	N8	2.6°	0.1°
C6	C5	C4	H4	1.9°	0.3°
C5	C6	C7	H7	177.4°	180.0°
C11	C9	N8	C7	0.0°	0.0°
C11	C9	N8	O10	179.5°	180.0°
C9	C11	C12	H12	1.5°	0.1°
C11	C9	N8	H8	180.0°	180.0°
C1	C2	C3	H3	1.8°	0.0°
C1	C2	C12	H12	0.4°	0.1°
C2	C1	H11C	H12C	120.0°	120.1°
C2	C1	H11C	H13C	120.0°	119.9°
C2	C1	H12C	H13C	120.0°	120.0°
C6	C7	N8	H7	180.0°	179.9°
C6	C7	N8	C9	1.6°	0.1°
C6	C7	N8	H8	178.4°	179.9°
C7	N8	C9	H8	180.0°	180.0°
C7	N8	C9	O10	179.5°	180.0°
N8	C7	C6	H6	177.4°	179.9°
C9	N8	C7	H7	178.4°	180.0°
O10	C9	N8	H8	0.5°	0.0°
H4	C4	C3	H3	2.4°	0.3°
H6	C6	C7	H7	2.6°	0.0°
H11C	C1	H12C	H13C	120.0°	120.0°
H7	C7	N8	H8	1.6°	0.0°

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PDB entries from 2024-07-10

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