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Summary Geometry Related PDB entries

HYR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S13	C2	doub	1.60Å	1.61Å
C2	N3	sing	1.35Å	1.46Å
N3	C4	sing	1.47Å	1.45Å
C4	C5	sing	1.53Å	1.54Å
C5	O6	sing	1.43Å	1.42Å
O6	C7	sing	1.36Å	1.42Å
C7	C12	doub	1.39Å	1.40Å	Aromatic
C7	C8	sing	1.39Å	1.40Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.40Å	Aromatic
C11	C10	doub	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C2	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
N3	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S13	C2	N3	119.9°	120.0°
S13	C2	H4	120.0°	120.0°
C2	N3	C4	123.7°	120.0°
N3	C2	H4	120.0°	120.0°
C2	N3	H12	118.1°	120.0°
N3	C4	C5	108.7°	109.5°
N3	C4	H5	109.7°	109.4°
N3	C4	H6	109.7°	109.4°
C4	N3	H12	118.2°	120.0°
C4	C5	O6	111.2°	109.5°
C5	C4	H5	109.7°	109.5°
C5	C4	H6	109.7°	109.5°
C4	C5	H7	109.0°	109.4°
C4	C5	H8	109.0°	109.5°
C5	O6	C7	118.5°	117.0°
O6	C5	H7	109.1°	109.5°
O6	C5	H8	109.1°	109.5°
O6	C7	C12	120.8°	120.1°
O6	C7	C8	121.2°	120.0°
C12	C7	C8	118.0°	119.9°
C7	C12	C11	121.4°	119.9°
C7	C12	H3	119.3°	120.0°
C7	C8	C9	120.7°	119.9°
C7	C8	H9	119.6°	120.0°
C12	C11	C10	119.9°	120.1°
C12	C11	H2	120.1°	119.9°
C11	C12	H3	119.3°	120.1°
C8	C9	C10	120.5°	120.0°
C9	C8	H9	119.6°	120.0°
C8	C9	H10	119.8°	119.9°
C11	C10	C9	119.5°	120.2°
C11	C10	H1	120.2°	119.9°
C10	C11	H2	120.1°	120.1°
C9	C10	H1	120.2°	119.9°
C10	C9	H10	119.8°	120.0°
H5	C4	H6	109.5°	109.4°
H7	C5	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S13	C2	N3	H4	180.0°	179.9°
S13	C2	N3	C4	7.2°	0.0°
S13	C2	N3	H12	172.8°	179.9°
C2	N3	C4	H12	180.0°	180.0°
C2	N3	C4	C5	145.2°	180.0°
C2	N3	C4	H5	94.9°	60.0°
C2	N3	C4	H6	25.3°	60.0°
N3	C4	C5	H5	119.8°	120.0°
N3	C4	C5	H6	119.9°	120.0°
N3	C4	C5	O6	21.4°	65.0°
C4	N3	C2	H4	172.8°	180.0°
N3	C4	H5	H6	120.4°	119.9°
N3	C4	C5	H7	98.9°	175.0°
N3	C4	C5	H8	141.6°	55.0°
C4	C5	O6	H7	120.2°	120.0°
C4	C5	O6	H8	120.2°	120.0°
C4	C5	O6	C7	135.7°	180.0°
C5	C4	H5	H6	120.4°	120.1°
C4	C5	H7	H8	119.2°	120.0°
C5	C4	N3	H12	34.8°	0.0°
C5	O6	C7	C12	89.7°	180.0°
C5	O6	C7	C8	90.9°	0.0°
O6	C5	C4	H5	141.2°	175.0°
O6	C5	C4	H6	98.5°	55.0°
O6	C5	H7	H8	119.2°	120.0°
O6	C7	C12	C8	179.4°	179.9°
O6	C7	C12	C11	179.9°	180.0°
O6	C7	C8	C9	179.9°	179.7°
O6	C7	C12	H3	0.1°	0.0°
C7	O6	C5	H7	104.1°	60.0°
C7	O6	C5	H8	15.4°	60.0°
O6	C7	C8	H9	0.1°	0.0°
C7	C12	C11	H3	180.0°	180.0°
C12	C7	C8	C9	0.5°	0.3°
C7	C12	C11	C10	0.4°	0.1°
C7	C12	C11	H2	179.7°	180.0°
C12	C7	C8	H9	179.5°	180.0°
C8	C7	C12	C11	0.5°	0.1°
C7	C8	C9	H9	180.0°	179.7°
C7	C8	C9	C10	0.3°	0.6°
C8	C7	C12	H3	179.5°	180.0°
C7	C8	C9	H10	179.7°	180.0°
C12	C11	C10	H2	180.0°	179.9°
C12	C11	C10	C9	0.2°	0.4°
C12	C11	C10	H1	179.9°	180.0°
C8	C9	C10	C11	0.1°	0.6°
C8	C9	C10	H10	180.0°	179.3°
C8	C9	C10	H1	179.9°	179.7°
C11	C10	C9	H1	180.0°	179.6°
C10	C11	C12	H3	179.6°	180.0°
C11	C10	C9	H10	179.9°	180.0°
C9	C10	C11	H2	179.9°	179.7°
C10	C9	C8	H9	179.7°	179.7°
H1	C10	C11	H2	0.1°	0.1°
H1	C10	C9	H10	0.1°	0.4°
H2	C11	C12	H3	0.3°	0.0°
H4	C2	N3	H12	7.2°	0.0°
H5	C4	C5	H7	20.9°	55.0°
H5	C4	C5	H8	98.5°	65.0°
H5	C4	N3	H12	85.1°	120.0°
H6	C4	C5	H7	141.2°	65.0°
H6	C4	C5	H8	21.8°	175.0°
H6	C4	N3	H12	154.7°	120.1°
H9	C8	C9	H10	0.3°	0.4°

226707

PDB entries from 2024-10-30

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