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Summary Geometry Related PDB entries

S4V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C5	doub	1.38Å	1.38Å	Aromatic
C	C1	sing	1.38Å	1.40Å	Aromatic
C5	C4	sing	1.39Å	1.37Å	Aromatic
C1	C2	doub	1.38Å	1.37Å	Aromatic
C4	N	sing	1.40Å	1.39Å
C4	C3	doub	1.40Å	1.45Å	Aromatic
C2	C3	sing	1.39Å	1.40Å	Aromatic
C3	N1	sing	1.40Å	1.42Å
N1	C6	sing	1.39Å	1.39Å
C7	C6	doub	1.39Å	1.42Å	Aromatic
C7	C8	sing	1.38Å	1.39Å	Aromatic
C6	N2	sing	1.32Å	1.39Å	Aromatic
C8	C9	doub	1.39Å	1.37Å	Aromatic
N2	C10	doub	1.32Å	1.37Å	Aromatic
C10	C9	sing	1.38Å	1.41Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
N	H6	sing	0.97Å	1.00Å
N	H7	sing	0.97Å	1.00Å
C	H8	sing	1.08Å	1.08Å
C1	H9	sing	1.08Å	1.08Å
C2	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C	C1	121.7°	120.2°
C	C5	C4	119.8°	120.0°
C	C5	H2	120.1°	119.9°
C5	C	H8	119.1°	119.9°
C	C1	C2	120.4°	120.2°
C1	C	H8	119.1°	119.9°
C	C1	H9	119.8°	119.9°
C5	C4	N	119.1°	120.1°
C5	C4	C3	118.6°	119.8°
C4	C5	H2	120.1°	120.0°
C1	C2	C3	119.4°	120.0°
C2	C1	H9	119.8°	119.9°
C1	C2	H10	120.3°	120.0°
N	C4	C3	122.2°	120.1°
C4	N	H6	109.5°	120.1°
C4	N	H7	109.5°	120.0°
C4	C3	C2	120.0°	119.8°
C4	C3	N1	119.6°	120.0°
C2	C3	N1	120.2°	120.1°
C3	C2	H10	120.3°	120.0°
C3	N1	C6	129.9°	120.0°
C3	N1	H1	115.1°	120.1°
N1	C6	C7	118.8°	119.7°
N1	C6	N2	118.1°	119.7°
C6	N1	H1	115.0°	120.0°
C6	C7	C8	118.3°	119.1°
C7	C6	N2	123.1°	120.6°
C6	C7	H3	120.8°	120.5°
C7	C8	C9	120.1°	118.5°
C8	C7	H3	120.8°	120.4°
C7	C8	H4	120.0°	120.8°
C6	N2	C10	115.4°	121.6°
C8	C9	C10	119.5°	119.4°
C9	C8	H4	120.0°	120.8°
C8	C9	H11	120.3°	120.3°
N2	C10	C9	123.6°	120.8°
N2	C10	H5	118.2°	119.6°
C9	C10	H5	118.2°	119.6°
C10	C9	H11	120.3°	120.3°
H6	N	H7	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C	C1	H8	180.0°	179.9°
C	C5	C4	H2	180.0°	180.0°
C5	C	C1	C2	0.3°	0.1°
C	C5	C4	N	178.7°	180.0°
C	C5	C4	C3	0.3°	0.3°
C5	C	C1	H9	179.7°	179.9°
C1	C	C5	C4	0.0°	0.1°
C	C1	C2	H9	180.0°	180.0°
C	C1	C2	C3	0.2°	0.3°
C1	C	C5	H2	180.0°	180.0°
C	C1	C2	H10	179.8°	180.0°
C5	C4	N	C3	178.3°	179.7°
C5	C4	C3	C2	0.4°	0.5°
C5	C4	C3	N1	175.6°	179.8°
C5	C4	N	H6	180.0°	179.7°
C5	C4	N	H7	60.0°	0.3°
C4	C5	C	H8	180.0°	180.0°
C1	C2	C3	C4	0.1°	0.6°
C1	C2	C3	H10	180.0°	179.6°
C1	C2	C3	N1	175.9°	179.8°
C2	C1	C	H8	179.7°	180.0°
N	C4	C3	C2	178.8°	179.7°
N	C4	C3	N1	2.7°	0.1°
N	C4	C5	H2	1.3°	0.0°
C4	N	H6	H7	120.0°	180.0°
C4	C3	C2	N1	176.0°	179.7°
C4	C3	N1	C6	118.7°	155.6°
C4	C3	N1	H1	61.3°	24.2°
C3	C4	C5	H2	179.7°	179.7°
C3	C4	N	H6	1.7°	0.0°
C3	C4	N	H7	118.3°	180.0°
C4	C3	C2	H10	179.9°	179.8°
C2	C3	N1	C6	65.3°	24.7°
C2	C3	N1	H1	114.7°	155.5°
C3	C2	C1	H9	179.8°	179.7°
C3	N1	C6	H1	180.0°	179.7°
C3	N1	C6	C7	3.0°	173.7°
C3	N1	C6	N2	175.9°	6.6°
N1	C3	C2	H10	4.1°	0.1°
N1	C6	C7	N2	178.9°	179.7°
N1	C6	C7	C8	178.3°	180.0°
N1	C6	N2	C10	178.1°	179.8°
N1	C6	C7	H3	1.7°	0.1°
C6	C7	C8	H3	180.0°	179.9°
C6	C7	C8	C9	0.1°	0.1°
C7	C6	N2	C10	0.8°	0.5°
C7	C6	N1	H1	177.0°	6.6°
C6	C7	C8	H4	179.9°	180.0°
C8	C7	C6	N2	0.6°	0.3°
C7	C8	C9	H4	180.0°	180.0°
C7	C8	C9	C10	0.5°	0.1°
C7	C8	C9	H11	179.4°	180.0°
C6	N2	C10	C9	0.3°	0.5°
N2	C6	N1	H1	4.1°	173.2°
N2	C6	C7	H3	179.4°	179.8°
C6	N2	C10	H5	179.6°	179.7°
C8	C9	C10	N2	0.3°	0.3°
C8	C9	C10	H11	180.0°	179.9°
C9	C8	C7	H3	179.9°	180.0°
C8	C9	C10	H5	179.7°	179.9°
N2	C10	C9	H5	180.0°	179.9°
N2	C10	C9	H11	179.7°	179.8°
C10	C9	C8	H4	179.5°	180.0°
H2	C5	C	H8	0.0°	0.1°
H3	C7	C8	H4	0.1°	0.0°
H4	C8	C9	H11	0.6°	0.1°
H5	C10	C9	H11	0.3°	0.0°
H8	C	C1	H9	0.2°	0.0°
H9	C1	C2	H10	0.2°	0.1°

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PDB entries from 2024-10-16

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