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aliphatic-aliphatic amine, pyramidal aliphatic-aromatic amine; planar aliphatic-aromatic amine; pyramidal aromatic-aromatic amine; planar aromatic-aromatic amine; pyramidal charged aliphatic-aliphatic amine

aromatic-aromatic amine; pyramidal

(PDB scatterplots for planar and pyramidal aromatic-aromatic amine 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 736 843    
any polar X-H (X= N,O or S) 32 158  
* 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

C,H only
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any alkyl C-H 108 229  
methylene 10 46  
methyl 36 154  
any aromatic C-H 281 148  
substituted aromatic carbon 43 7  
phenyl 33 64  
* 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 17 17  
any uncharged NH 15 *  
any cationic NH 2 *  
aromatic cationic N-H 1 *  
amide NH   8    
uncharged C(sp2)/C(ar)-NH2 6 *  
cationic RNH3 1 1  
cationic R3NH   *    
* 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 15 139  
alcohol OH 2 28  
phenol OH 4 1  
water 6 110  
* 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 7 2  
cyano 5    
pyramidal R3N   *    
uncharged planar R3N        
cationic planar R3N        
any terminal O 21 288  
any C=O 17 288  
amide C=O 1 187  
ester C=O 7    
carboxylate 1 11  
aliphatic ether 1    
linking O in esters 1    
aromatic O        
sulfoxide/sulfone O        
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 10 20  
any C=S 3    
aliphatic thioether   16    
aromatic S 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

Halo/Halide
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any C-F 4    
any C-Cl 24    
any C-Br        
any C-I        
chloride ion 2    
bromide ion        
iodide ion        
* 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 6    
potassium ion 8    
rubidium ion        
cesuim ion        
* 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   9    
imidazole * 4    
guanidinium * 1    
* This search has not been done.




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