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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; planar

(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 9989 843    
any polar X-H (X= N,O or S) 1041 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 1707 229  
methylene 174 46  
methyl 506 154  
any aromatic C-H 3706 148  
substituted aromatic carbon 444 7  
phenyl 517 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 629 17  
any uncharged NH 476 *  
any cationic NH 55 *  
aromatic cationic N-H 47 *  
amide NH 26 8  
uncharged C(sp2)/C(ar)-NH2 30 *  
cationic RNH3 4 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 411 139  
alcohol OH 62 28  
phenol OH 18 1  
water 198 110  
* 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 595 2  
cyano 88    
pyramidal R3N 1 *  
uncharged planar R3N 11    
cationic planar R3N 1    
any terminal O 968 288  
any C=O 542 288  
amide C=O 35 187  
ester C=O 58    
carboxylate 59 11  
aliphatic ether 21    
linking O in esters 16    
aromatic O 5    
sulfoxide/sulfone O 29    
nitro 216 *  
* 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 156 20  
any C=S 29    
aliphatic thioether 1 16  
aromatic S 10    
* 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 125    
any C-Cl 143    
any C-Br 28    
any C-I 8    
chloride ion 93    
bromide ion 4    
iodide ion 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

Alkali Metal
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
lithium ion 2    
sodium ion        
potassium ion 18    
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 15 9  
imidazole * 4    
guanidinium * 1    
* This search has not been done.




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