|
charged amino
(PDB scatterplots include both charged and uncharged amino 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 |
2224 |
|
|
| any polar X-H (X= N,O or S) |
4997 |
1160 |
|
|
* 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 |
4997 |
246 |
|
|
| methylene |
1990 |
89 |
|
|
| methyl |
1440 |
49 |
|
|
| any aromatic C-H |
3944 |
178 |
|
|
| substituted aromatic carbon |
1045 |
28 |
|
|
| phenyl |
639 |
40 |
|
|
* 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 |
98 |
|
|
| any uncharged NH |
755 |
* |
|
|
| any cationic NH |
4997 |
* |
|
|
| aromatic cationic N-H |
48 |
* |
|
|
| amide NH |
210 |
17 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
245 |
* |
|
|
| cationic RNH3 |
1998 |
17 |
|
|
| cationic R3NH |
5 |
* |
|
|
* 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 |
4997 |
1042 |
|
|
| alcohol OH |
1877 |
93 |
|
|
| phenol OH |
591 |
149 |
|
|
| water |
3331 |
800 |
|
|
* 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 |
723 |
13 |
|
|
| cyano |
183 |
|
|
|
| pyramidal R3N |
28 |
* |
|
|
| uncharged planar R3N |
22 |
4 |
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
4997 |
806 |
|
|
| any C=O |
4997 |
806 |
|
|
| amide C=O |
596 |
222 |
|
|
| ester C=O |
231 |
|
|
|
| carboxylate |
2498 |
489 |
|
|
| aliphatic ether |
2040 |
|
|
|
| linking O in esters |
90 |
|
|
|
| aromatic O |
26 |
|
|
|
| sulfoxide/sulfone O |
103 |
|
|
|
| nitro |
912 |
* |
|
|
* 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 |
6264 |
31 |
|
|
| any C=S |
63 |
|
|
|
| aliphatic thioether |
20 |
21 |
|
|
| aromatic S |
14 |
|
|
|
* 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 |
375 |
|
|
|
| any C-Cl |
239 |
|
|
|
| any C-Br |
75 |
|
|
|
| any C-I |
26 |
|
|
|
| chloride ion |
4438 |
|
|
|
| bromide ion |
1084 |
|
|
|
| iodide ion |
428 |
|
|
|
* 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 |
15 |
|
|
|
| sodium ion |
104 |
|
|
|
| potassium ion |
155 |
|
|
|
| rubidium ion |
13 |
|
|
|
| cesuim ion |
11 |
|
|
|
* 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 |
158 |
139 |
|
|
| imidazole |
* |
65 |
|
|
| guanidinium |
* |
30 |
|
|
* This search has not been done.
|
|
