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Summary Geometry Related PDB entries

IHG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.11Å
C1	H13	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.54Å
C2	NE	sing	1.46Å	1.50Å
C2	H21	sing	1.09Å	1.11Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.12Å
C3	H33	sing	1.09Å	1.11Å
NE	CZ	sing	1.37Å	1.36Å
NE	HE1	sing	0.97Å	1.02Å
CZ	NH1	sing	1.37Å	1.33Å
CZ	NH2	doub	1.30Å	1.35Å
NH1	OH	sing	1.42Å	1.31Å
NH1	HH11	sing	0.97Å	1.02Å
NH2	HH21	sing	0.97Å	1.02Å
OH	HH1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H11	111.7°	109.5°
C2	C1	H12	111.4°	109.4°
C2	C1	H13	111.3°	109.5°
C1	C2	C3	111.7°	109.5°
C1	C2	NE	108.8°	109.5°
C1	C2	H21	108.5°	109.5°
H11	C1	H12	111.5°	109.5°
H11	C1	H13	111.4°	109.4°
H12	C1	H13	99.0°	109.4°
C3	C2	NE	109.5°	109.5°
C3	C2	H21	107.7°	109.5°
C2	C3	H31	111.7°	109.5°
C2	C3	H32	111.4°	109.4°
C2	C3	H33	111.4°	109.5°
NE	C2	H21	110.6°	109.5°
C2	NE	CZ	112.1°	120.0°
C2	NE	HE1	111.3°	120.0°
H31	C3	H32	111.3°	109.5°
H31	C3	H33	111.4°	109.5°
H32	C3	H33	99.0°	109.5°
CZ	NE	HE1	111.2°	120.0°
NE	CZ	NH1	120.0°	120.0°
NE	CZ	NH2	121.3°	120.0°
NH1	CZ	NH2	118.7°	120.0°
CZ	NH1	OH	124.5°	120.0°
CZ	NH1	HH11	106.9°	120.0°
CZ	NH2	HH21	110.5°	120.1°
OH	NH1	HH11	106.9°	120.0°
NH1	OH	HH1	124.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H11	H12	125.3°	120.0°
C2	C1	H11	H13	125.2°	120.0°
C2	C1	H12	H13	117.2°	120.0°
C1	C2	C3	NE	120.6°	120.1°
C1	C2	C3	H21	119.0°	120.0°
C1	C2	NE	H21	119.1°	120.0°
C1	C2	C3	H31	179.9°	60.0°
C1	C2	C3	H32	54.8°	180.0°
C1	C2	C3	H33	54.7°	59.9°
C1	C2	NE	CZ	146.1°	150.0°
C1	C2	NE	HE1	88.7°	30.0°
H11	C1	H12	H13	117.3°	120.0°
H11	C1	C2	C3	180.0°	59.9°
H11	C1	C2	NE	58.9°	180.0°
H11	C1	C2	H21	61.5°	60.0°
H12	C1	C2	C3	54.7°	180.0°
H12	C1	C2	NE	175.8°	59.9°
H12	C1	C2	H21	63.9°	60.1°
H13	C1	C2	C3	54.8°	60.1°
H13	C1	C2	NE	66.3°	60.0°
H13	C1	C2	H21	173.3°	180.0°
C3	C2	NE	H21	118.6°	120.0°
C2	C3	H31	H32	125.2°	120.0°
C2	C3	H31	H33	125.3°	120.0°
C2	C3	H32	H33	117.3°	120.0°
C3	C2	NE	CZ	91.6°	90.0°
C3	C2	NE	HE1	33.7°	90.0°
NE	C2	C3	H31	59.3°	60.0°
NE	C2	C3	H32	65.8°	60.0°
NE	C2	C3	H33	175.4°	180.0°
C2	NE	CZ	HE1	125.3°	180.0°
C2	NE	CZ	NH1	178.9°	180.0°
C2	NE	CZ	NH2	1.2°	0.0°
H21	C2	C3	H31	61.0°	180.0°
H21	C2	C3	H32	173.8°	60.0°
H21	C2	C3	H33	64.3°	60.0°
H21	C2	NE	CZ	27.0°	30.0°
H21	C2	NE	HE1	152.3°	150.0°
H31	C3	H32	H33	117.3°	120.0°
NE	CZ	NH1	NH2	179.9°	180.0°
NE	CZ	NH1	OH	16.2°	180.0°
NE	CZ	NH1	HH11	109.1°	0.0°
NE	CZ	NH2	HH21	111.7°	180.0°
HE1	NE	CZ	NH1	55.8°	0.0°
HE1	NE	CZ	NH2	124.1°	180.0°
CZ	NH1	OH	HH11	125.3°	179.9°
NH1	CZ	NH2	HH21	68.3°	0.0°
CZ	NH1	OH	HH1	180.0°	180.0°
NH2	CZ	NH1	OH	163.7°	0.1°
NH2	CZ	NH1	HH11	71.0°	180.0°
HH11	NH1	OH	HH1	54.8°	0.1°

222415

PDB entries from 2024-07-10

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