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ammonio (K)

ammonio (K)

(PDB scatterplots include both charged and uncharged ammonio groups, because the groups are indistinguishable in protein crystal structures; More Information)

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

General
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
any C,N,O,S or H			9992	9996
any polar X-H (X= N,O or S)			4980	8908

* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

C,H only
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
any alkyl C-H			4924	2692
methylene			995	256
methyl			429	139
any aromatic C-H			1667	299
substituted aromatic carbon			525	164
phenyl			206	69

* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

N-H
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
any NH			3819	238
any uncharged NH			237	*
any cationic NH			3207	*
aromatic cationic N-H			7	*
amide NH			64	69
uncharged C(sp²)/C(ar)-NH2			45	*
cationic RNH3			1998	6
cationic R3NH			4	*

* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

O-H
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
any OH			4949	8636
alcohol OH			519	3017
phenol OH			350	207
water			3073	5412

* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

Other N or O
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
aromatic or sp² N			463	673
cyano			103	29
pyramidal R3N			20	*
uncharged planar R3N			8	6
cationic planar R3N				2
any terminal O			4952	2446
any C=O			4985	2446
amide C=O			194	643
ester C=O			51	53
carboxylate			2437	1544
aliphatic ether			674	2
linking O in esters			26	20
aromatic O			8	6
sulfoxide/sulfone O			29
nitro			408	*

* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

Sulfur
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
any S			3455	245
any C=S			32	2
aliphatic thioether			4	25
aromatic S			4	10

* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

Halo/Halide
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
any C-F			169	71
any C-Cl			97	43
any C-Br			50	7
any C-I			14	4
chloride ion			1602	47
bromide ion			483	2
iodide ion			234	2

* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/Halide| Alkali Metal| Amino acid

Alkali Metal
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
lithium ion			14
sodium ion			90	27
potassium ion			117	15
rubidium ion			12
cesuim ion			8

* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

Amino acid
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
CONH2			38	110
imidazole			*	101
guanidinium			*	12

* This search has not been done.

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