Last Heavy Atom (LHA) Definition

 

The Last Heavy Atom (LHA) in the amino acid side chain can be defined as in the following list:

ALA CB ASP OD2 TRP CH2 ASN ND2
LYS NZ GLU OE2 SER OG GLN NE2
CYS SG HIS NE2 TYR OH VAL CG2
GLY CA LEU CD2 MET CE ILE CD1
ARG NH2 PHE CZ PRO CD THR CG2

If in any of the PDB files (to be analyzed by the BLUE STAR STING components) that specific atom (LHA) is missing in the record, then our algorithms will search for the next closer atom in the side chain that would be considered as the LHA.

ALA CB ASP OD2
ASP OD1
ASP CG
ASP CB
TRP CH2
TRP CZ3
TRP CZ2
TRP CE3
TRP CE2
TRP NE1
TRP CD2
TRP CD1
TRP CG
TRP CB
TRP CA
ASN ND2
ASN OD1
ASN CG
ASN CB
LYS NZ
LYS CE
LYS CD
LYS CG
LYS CB
GLU OE2
GLU OE1
GLU CD
GLU CG
GLU CB
SER OG
SER CB
GLN NE2
GLN OE1
GLN CD
GLN CG
GLN CB
CYS SG
CYS CB
HIS NE2
HIS CE1
HIS CD2
HIS ND1
HIS CG
HIS CB
TYR OH
TYR CZ
TYR CE2
TYR CE1
TYR CD2
TYR CD1
TYR CG
TYR CB
VAL CG2
VAL CG1
VAL CB
GLY CA LEU CD2
LEU CD1
LEU CG
LEU CB
MET CE
MET CD
MET CG
MET CB
ILE CD1
ILE CG2
ILE CG1
ILE CB
ARG NH2
ARG NH1
ARG CZ
ARG NE
ARG CD
ARG CG
ARG CB
PHE CZ
PHE CE2
PHE CE1
PHE CD2
PHE CD1
PHE CG
PHE CB
PRO CD
PRO CG
PRO CB
THR CG2
THR OG1
THR CB