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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, 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			9963	7453
any polar X-H (X= N,O or S)			4997	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			4972	2916
methylene			1962	643
methyl			1944	1255
any aromatic C-H			4938	874
substituted aromatic carbon			2394	89
phenyl			1404	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			4997	1257
any uncharged NH			4112	*
any cationic NH			744	*
aromatic cationic N-H			284	*
amide NH			472	380
uncharged C(sp²)/C(ar)-NH2			318	*
cationic RNH3			60	235
cationic R3NH			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

O-H
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
any OH			4966	2913
alcohol OH			1511	276
phenol OH			520	188
water			2332	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			1679	16
cyano			397
pyramidal R3N			12	*
uncharged planar R3N			1543	2
cationic planar R3N			23
any terminal O			3413	1049
any C=O			3670	1049
amide C=O			300	504
ester C=O			378
carboxylate			116	384
aliphatic ether			53
linking O in esters			177
aromatic O			288
sulfoxide/sulfone O			51
nitro			1278	*

* 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			2362	138
any C=S			92
aliphatic thioether			17	131
aromatic S			1521

* 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			1028
any C-Cl			1187
any C-Br			392
any C-I			277
chloride ion			47
bromide ion			8
iodide ion			6

* 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			1
sodium ion			42
potassium ion			54
rubidium ion			2
cesuim ion			7

* 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			190	733
imidazole			*	353
guanidinium			*	654

* This search has not been done.

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