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carboxylic acid (D,E), charged carboxylic acid (D,E), uncharged; cis carboxylic acid (D,E), uncharged; trans

carboxylic acid (D,E), uncharged; trans

(PDB scatterplots for all the above 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 7380 9985    
any polar X-H (X= N,O or S) 1122 9994  
* 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 2434 9994  
methylene 768 1937  
methyl 216 1175  
any aromatic C-H 626 1427  
substituted aromatic carbon 38 150  
phenyl 65 281  
* 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 605 4842  
any uncharged NH 131 *  
any cationic NH 217 *  
aromatic cationic N-H 54 *  
amide NH 32 823  
uncharged C(sp2)/C(ar)-NH2 28 *  
cationic RNH3 41 498  
cationic R3NH 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

O-H
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any OH 517 9994  
alcohol OH 28 4982  
phenol OH 13 376  
water 159 9975  
* 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 62 1006  
cyano 2 65  
pyramidal R3N 1 *  
uncharged planar R3N 8 120  
cationic planar R3N   53    
any terminal O 533 2004  
any C=O 549 2004  
amide C=O 26 662  
ester C=O 5 83  
carboxylate 220 582  
aliphatic ether 4    
linking O in esters 4 62  
aromatic O 1 27  
sulfoxide/sulfone O 2 6  
nitro 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

Sulfur
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any S 45 304  
any C=S 2 13  
aliphatic thioether 2 66  
aromatic S 24 54  
* 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 9 257  
any C-Cl 22 152  
any C-Br 6 23  
any C-I   8    
chloride ion 13 18  
bromide ion 5 1  
iodide 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

Alkali Metal
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
lithium ion 2 5  
sodium ion 6 106  
potassium ion 14 19  
rubidium ion   2    
cesuim ion 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

Amino acid
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
CONH2 22 336  
imidazole * 169    
guanidinium * 798    
* This search has not been done.




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