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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, uncharged, in 5-rings

(PDB scatterplots for uncharged aromatic N-H groups in 5-rings and aromatic N groups in 5-rings 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			9984	7453
any polar X-H (X= N,O or S)			4986	4325

* 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			4973	2916
methylene			1990	643
methyl			1953	1255
any aromatic C-H			4937	874
substituted aromatic carbon			2469	89
phenyl			1411	555

* 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			3091	1257
any uncharged NH			2803	*
any cationic NH			296	*
aromatic cationic N-H			144	*
amide NH			255	380
uncharged C(sp²)/C(ar)-NH2			165	*
cationic RNH3			67	235
cationic R3NH			1	*

* 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	2913
alcohol OH			2315	276
phenol OH			448	188
water			3314	2449

* 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			3309	16
cyano			1008
pyramidal R3N			268	*
uncharged planar R3N			305	2
cationic planar R3N			12
any terminal O			4982	1049
any C=O			4996	1049
amide C=O			875	504
ester C=O			1913
carboxylate			1750	384
aliphatic ether			471
linking O in esters			311
aromatic O			102
sulfoxide/sulfone O			623
nitro			1121	*

* 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			3652	138
any C=S			636
aliphatic thioether			42	131
aromatic S			159

* 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			1581
any C-Cl			1399
any C-Br			484
any C-I			108
chloride ion			2298
bromide ion			451
iodide ion			158

* 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			29
potassium ion			28
rubidium ion			2
cesuim ion			125

* 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			126	733
imidazole			*	353
guanidinium			*	654

* This search has not been done.

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