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aromatic N, all	aromatic N, in 5-rings	aromatic N, in 6-rings	aromatic N-H, charged	aromatic N-H, uncharged, in 5-rings

aromatic N-H, charged

(PDB scatterplots for charged aromatic N-H groups and 'aromatic N, all' groups 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			9995	9996
any polar X-H (X= N,O or S)			4997	9996

* 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			4993	9974
methylene			982	2351
methyl			1548	3562
any aromatic C-H			4997	3164
substituted aromatic carbon			2472	1099
phenyl			689	1413

* 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			2880	5176
any uncharged NH			1001	*
any cationic NH			1180	*
aromatic cationic N-H			1100	*
amide NH			99	1980
uncharged C(sp²)/C(ar)-NH2			270	*
cationic RNH3			47	641
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			4973	6933
alcohol OH			512	694
phenol OH			506	350
water			3331	5889

* 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			2082	32
cyano			284
pyramidal R3N				*
uncharged planar R3N			211	12
cationic planar R3N			1
any terminal O			4992	3589
any C=O			4966	3589
amide C=O			302	1985
ester C=O			66
carboxylate			2462	934
aliphatic ether			226
linking O in esters			24
aromatic O			15
sulfoxide/sulfone O			88
nitro			852	*

* 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			2608	556
any C=S			346
aliphatic thioether			2	460
aromatic S			134

* 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			706	1
any C-Cl			543
any C-Br			225
any C-I			70
chloride ion			2575
bromide ion			597
iodide ion			175

* 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
sodium ion			11
potassium ion			8
rubidium ion
cesuim ion			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

Amino acid
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
CONH2			116	1351
imidazole			*	793
guanidinium			*	1549

* This search has not been done.

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