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Table 6 Physicochemical properties used by the FEATURE algorithm

From: The SeqFEATURE library of 3D functional site models: comparison to existing methods and applications to protein function annotation

Atom-based

Molecule-based

Residue-based

Secondary structure-based

ATOM-TYPE-IS-C

PARTIAL-CHARGE

RESIDUE_NAME_IS_ALA

SECONDARY_STRUCTURE1_IS_3HELIX

ATOM-TYPE-IS-CT

HYDROXYL

RESIDUE_NAME_IS_ARG

SECONDARY_STRUCTURE1_IS_4HELIX

ATOM-TYPE-IS-Ca

AMIDE

RESIDUE_NAME_IS_ASN

SECONDARY_STRUCTURE1_IS_5HELIX

ATOM-TYPE-IS-N

AMINE

RESIDUE_NAME_IS_ASP

SECONDARY_STRUCTURE1_IS_BRIDGE

ATOM-TYPE-IS-N2

CARBONYL

RESIDUE_NAME_IS_CYS

SECONDARY_STRUCTURE1_IS_STRAND

ATOM-TYPE-IS-N3

RING-SYSTEM

RESIDUE_NAME_IS_GLN

SECONDARY_STRUCTURE1_IS_TURN

ATOM-TYPE-IS-Na

PEPTIDE

RESIDUE_NAME_IS_GLU

SECONDARY_STRUCTURE1_IS_BEND

ATOM-TYPE-IS-O

VDW-VOLUME

RESIDUE_NAME_IS_GLY

SECONDARY_STRUCTURE1_IS_COIL

ATOM-TYPE-IS-O2

CHARGE

RESIDUE_NAME_IS_HIS

SECONDARY_STRUCTURE1_IS_HET

ATOM-TYPE-IS-OH

NEG-CHARGE

RESIDUE_NAME_IS_ILE

SECONDARY_STRUCTURE1_IS_UNKNOWN

ATOM-TYPE-IS-S

POS-CHARGE

RESIDUE_NAME_IS_LEU

SECONDARY_STRUCTURE1_IS_HELIX

ATOM-TYPE-IS-SH

CHARGE-WITH-HIS

RESIDUE_NAME_IS_LYS

SECONDARY_STRUCTURE1_IS_BETA

ATOM-TYPE-IS-OTHER

HYDROPHOBICITY

RESIDUE_NAME_IS_MET

SECONDARY_STRUCTURE1_IS_COIL

ATOM-NAME-IS-ANY

MOBILITY

RESIDUE_NAME_IS_PHE

SECONDARY_STRUCTURE1_IS_HET

ATOM-NAME-IS-C

SOLVENT-ACCESSIBILITY

RESIDUE_NAME_IS_PRO

SECONDARY_STRUCTURE1_IS_UNKNOWN

ATOM-NAME-IS-N

 

RESIDUE_NAME_IS_SER

 

ATOM-NAME-IS-O

 

RESIDUE_NAME_IS_THR

 

ATOM-NAME-IS-S

 

RESIDUE_NAME_IS_TRP

 

ATOM-NAME-IS-OTHER

 

RESIDUE_NAME_IS_TYR

 
  

RESIDUE_NAME_IS_VAL

 
  

RESIDUE_NAME_IS_HOH

 
  

RESIDUE_NAME_IS_OTHER

 
  

CLASS1_IS_HYDROPHOBIC

 
  

CLASS1_IS_CHARGED

 
  

CLASS1_IS_POLAR

 
  

CLASS1_IS_UNKNOWN

 
  

CLASS2_IS_NONPOLAR

 
  

CLASS2_IS_POLAR

 
  

CLASS2_IS_BASIC

 
  

CLASS2_IS_ACIDIC

 
  

CLASS2_IS_UNKNOWN

 
  1. These properties are expressed at the atomic, molecular, residue and secondary structural levels of abstraction. The properties at the atomic, molecule and secondary structural level are designed to make the FEATURE models relatively less dependent on primary amino acid sequence, in an attempt to improve performance on highly divergent (or convergent) sites. Most of these properties are simply counts of the property, and a few are continuous valued, as discussed in [32].