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charged aromatic hydroxy	uncharged aliphatic hydroxy	uncharged aromatic hydroxy

uncharged aromatic hydroxy

(PDB scatterplots for charged and uncharged aromatic hydroxy are identical, 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			4997	4328
any polar X-H (X= N,O or S)			3331	1978

* 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			3331	1394
methylene			1665	414
methyl			1655	371
any aromatic C-H			3326	319
substituted aromatic carbon			1998	11
phenyl			1229	141

* 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			3265	810
any uncharged NH			3331	*
any cationic NH			2520	*
aromatic cationic N-H			560	*
amide NH			1144	167
uncharged C(sp²)/C(ar)-NH2			1004	*
cationic RNH3			592	208
cationic R3NH			111	*

* 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			3331	1144
alcohol OH			2498	149
phenol OH			2498	59
water			2467	936

* 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			2470	49
cyano			1153
pyramidal R3N			460	*
uncharged planar R3N			768	12
cationic planar R3N			119
any terminal O			3304	657
any C=O			3290	657
amide C=O			1427	177
ester C=O			1665
carboxylate			1514	369
aliphatic ether			693
linking O in esters			803
aromatic O			352
sulfoxide/sulfone O			823
nitro			1518	*

* 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			3113	29
any C=S			292
aliphatic thioether			50	35
aromatic S			273

* 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			817
any C-Cl			2018	1
any C-Br			911
any C-I			210
chloride ion			1292
bromide ion			660
iodide ion			103

* 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			19
sodium ion			101
potassium ion			41
rubidium ion			9
cesuim ion			27

* 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			614	295
imidazole			*	500
guanidinium			*	268

* This search has not been done.

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