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Summary Geometry Related PDB entries

K3V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	sing	1.43Å	1.44Å
O	C1	sing	1.36Å	1.39Å
O2	C9	sing	1.43Å	1.42Å
O2	C8	sing	1.36Å	1.41Å
C1	C8	doub	1.39Å	1.41Å	Aromatic
C1	C2	sing	1.39Å	1.44Å	Aromatic
C8	C7	sing	1.40Å	1.42Å	Aromatic
O1	C6	doub	1.22Å	1.23Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.47Å	1.50Å
C7	C4	doub	1.42Å	1.43Å	Aromatic
C6	N1	sing	1.35Å	1.45Å
C3	C4	sing	1.39Å	1.41Å	Aromatic
C4	C5	sing	1.46Å	1.44Å
N1	N	sing	1.40Å	1.33Å
C5	N	doub	1.30Å	1.31Å
N1	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.08Å	1.08Å
C	H3	sing	1.09Å	1.10Å
C	H4	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	O	C1	118.6°	117.0°
O	C	H3	109.5°	109.5°
O	C	H4	109.5°	109.4°
O	C	H5	109.5°	109.4°
O	C1	C8	118.3°	119.7°
O	C1	C2	120.3°	119.7°
C9	O2	C8	114.4°	117.0°
O2	C9	H8	109.5°	109.5°
O2	C9	H9	109.5°	109.5°
O2	C9	H10	109.5°	109.4°
O2	C8	C1	118.3°	120.3°
O2	C8	C7	122.2°	120.4°
C8	C1	C2	121.4°	120.5°
C1	C8	C7	119.3°	119.4°
C1	C2	C3	119.5°	120.8°
C1	C2	H6	120.2°	119.6°
C8	C7	C6	123.1°	121.9°
C8	C7	C4	118.3°	119.9°
O1	C6	C7	128.4°	120.6°
O1	C6	N1	117.4°	120.6°
C2	C3	C4	119.3°	119.8°
C3	C2	H6	120.2°	119.6°
C2	C3	H7	120.4°	120.1°
C6	C7	C4	118.6°	118.2°
C7	C6	N1	114.2°	118.8°
C7	C4	C3	122.2°	119.7°
C7	C4	C5	117.9°	118.5°
C6	N1	N	125.1°	121.8°
C6	N1	H1	117.4°	119.1°
C3	C4	C5	119.9°	121.8°
C4	C3	H7	120.4°	120.1°
C4	C5	N	124.1°	120.0°
C4	C5	H2	117.9°	120.0°
N1	N	C5	120.0°	122.7°
N	N1	H1	117.5°	119.1°
N	C5	H2	117.9°	120.0°
H3	C	H4	109.4°	109.5°
H3	C	H5	109.5°	109.5°
H4	C	H5	109.5°	109.4°
H8	C9	H9	109.4°	109.5°
H8	C9	H10	109.5°	109.5°
H9	C9	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	O	C1	C8	133.0°	180.0°
C	O	C1	C2	48.3°	0.0°
O	C	H3	H4	120.0°	120.0°
O	C	H3	H5	120.0°	120.0°
O	C	H4	H5	120.0°	119.9°
O	C1	C8	O2	8.0°	0.0°
O	C1	C8	C2	178.6°	180.0°
O	C1	C8	C7	176.6°	180.0°
O	C1	C2	C3	177.4°	180.0°
C1	O	C	H3	180.0°	60.0°
C1	O	C	H4	60.0°	60.1°
C1	O	C	H5	60.0°	180.0°
O	C1	C2	H6	2.6°	0.1°
C9	O2	C8	C1	101.9°	90.1°
C9	O2	C8	C7	82.9°	89.9°
O2	C9	H8	H9	120.0°	120.0°
O2	C9	H8	H10	120.0°	119.9°
O2	C9	H9	H10	120.0°	119.9°
O2	C8	C1	C7	175.3°	180.0°
O2	C8	C1	C2	173.3°	180.0°
O2	C8	C7	C6	4.7°	0.0°
O2	C8	C7	C4	173.8°	180.0°
C8	O2	C9	H8	180.0°	180.0°
C8	O2	C9	H9	60.0°	59.9°
C8	O2	C9	H10	60.0°	60.0°
C8	C1	C2	C3	1.2°	0.0°
C1	C8	C7	C6	179.8°	180.0°
C1	C8	C7	C4	1.4°	0.0°
C8	C1	C2	H6	178.8°	180.0°
C2	C1	C8	C7	2.0°	0.0°
C1	C2	C3	H6	180.0°	179.9°
C1	C2	C3	C4	0.3°	0.0°
C1	C2	C3	H7	179.8°	180.0°
C8	C7	C6	O1	0.3°	0.1°
C8	C7	C6	C4	178.4°	180.0°
C8	C7	C6	N1	178.7°	180.0°
C8	C7	C4	C3	0.1°	0.1°
C8	C7	C4	C5	178.8°	179.8°
O1	C6	C7	N1	178.5°	179.9°
O1	C6	C7	C4	178.2°	179.9°
O1	C6	N1	N	178.4°	179.9°
O1	C6	N1	H1	1.5°	0.3°
C2	C3	C4	C7	0.9°	0.0°
C2	C3	C4	H7	180.0°	180.0°
C2	C3	C4	C5	179.6°	179.8°
C6	C7	C4	C3	178.5°	180.0°
C6	C7	C4	C5	0.3°	0.2°
C7	C6	N1	N	0.2°	0.0°
C7	C6	N1	H1	179.8°	179.7°
C4	C7	C6	N1	0.3°	0.0°
C7	C4	C3	C5	178.7°	179.8°
C7	C4	C5	N	0.2°	0.4°
C7	C4	C5	H2	179.7°	180.0°
C7	C4	C3	H7	179.1°	180.0°
C6	N1	N	H1	180.0°	179.7°
C6	N1	N	C5	0.1°	0.3°
C3	C4	C5	N	178.5°	179.7°
C3	C4	C5	H2	1.5°	0.2°
C4	C3	C2	H6	179.8°	179.9°
C4	C5	N	N1	0.2°	0.5°
C4	C5	N	H2	180.0°	179.5°
C5	C4	C3	H7	0.4°	0.2°
N1	N	C5	H2	179.8°	180.0°
C5	N	N1	H1	179.9°	180.0°
H3	C	H4	H5	120.0°	120.0°
H6	C2	C3	H7	0.2°	0.0°
H8	C9	H9	H10	120.0°	120.0°

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PDB entries from 2024-07-17

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