public class Protein extends BioSequencePlusImpl
BioSequenceImpl.SeqFilterReader
GAP_PATTERN
Modifier and Type | Method and Description |
---|---|
void |
addChain(Protein inChain)
Adds a specified protein chain to this Protein object (with a stoichiometry of one).
|
void |
addChains(Collection<Protein> inChains)
Adds specified protein chains to this Protein object (with a stoichiometry of one).
|
void |
addChains(Protein inChain,
int inNumCopies)
Adds a specified number of copies of a specified protein chain to this Protein object.
|
Protein |
addGlycan(Glycan inValue) |
Protein |
addGlycans(Glycan inValue,
int inCount) |
void |
addXLink(ProteinXLink inXLink) |
AminoAcid |
aminoAcidAt(int inPosition) |
void |
clearCalculatedProperties() |
void |
clearElementalCompositionAndCalculatedProperties() |
Protein |
clone()
Returns an unlocked copy of the Molecule.
|
int |
compareTo(Object inObj2) |
protected void |
countGaps() |
void |
createNTerminalPyroGlu()
Convenience method for setting the N-terminal group as pyro-glu based on
whether the N-terminal residue is Glu or Gln.
|
List<SeqLocation> |
findNLinkedSites() |
AminoAcidComposition |
getAminoAcidComposition()
Returns a Map containing the amino acid composition of the protein including any subchains.
|
AminoAcidSet |
getAminoAcidSet() |
Double |
getAverageMass() |
Double |
getAverageMass(ProteinAnalysisMode inMode) |
Protein |
getChain(String inChainId)
Returns the chain with the specified id.
|
Set<String> |
getChainIds() |
Collection<Protein> |
getChains() |
Collection<Collection<Protein>> |
getChainStoichiometryGroups()
Returns chains of this Protein object organized into groups that are identical sequences.
|
protected Map<String,Integer> |
getComposition()
Returns a map with AminoAcids as keys and Integers as the values.
|
Collection<Protein> |
getDistinctChains() |
Map<Element,Float> |
getElementalComposition(ProteinAnalysisMode inMode)
Returns an unmodifiable copy of the elemental composition Map adjusted (if necessary)
for the specified protein analysis mode.
|
int |
getExtinctionCoeff()
Returns the estimated molar extinction coefficient at A280.
|
List<Glycan> |
getGlycans() |
Float |
getIsoelectricPoint()
Determines the isoelectric point (the pH at which the net charge is zero) for the protein.
|
Float |
getIsoelectricPoint(KaSet inKaSet)
Determines the isoelectric point (the pH at which the net charge is zero)
for the protein assuming reducing conditions.
|
Float |
getIsoelectricPoint(KaSet inKaSet,
ProteinAnalysisMode inMode)
Determines the isoelectric point (the pH at which the net charge is zero) for the protein.
|
byte[] |
getMD5Checksum() |
float |
getMillimolarConcFromAbsorbance280(float inAbsorbance)
Returns the concentration (mM) of the protein solution by using the Beer Lambert Law.
|
Double |
getMonoisotopicMass() |
Double |
getMonoisotopicMass(ProteinAnalysisMode inMode) |
Double |
getNetCharge(double pH,
KaSet inKaSet)
Estimates the protein's net charge at the specified pH assuming reducing conditions.
|
Double |
getNetCharge(double pH,
KaSet inKaSet,
ProteinAnalysisMode inMode)
Estimates the protein's net charge at the specified pH.
|
int |
getNumChains()
Recursively calculates the number of chains in the protein.
|
Double |
getOrganicAverageMass()
Organic mass values used are from:
|
Double |
getOrganicAverageMass(ProteinAnalysisMode inMode) |
Protein |
getParent()
Protein objects can be recursively composed of other Protein objects that represent
chains or subunits and this method returns the Protein object that contains this Protein object
or null if this Protein object is the top object.
|
float |
getPercentExtinctionCoeff()
Returns the estimated mass attenuation coefficient (ml mg-1 cm-1) at A280.
|
protected Map<Molecule,Integer> |
getResidueComposition() |
byte[] |
getSHA1Checksum() |
protected Map<Molecule,Integer> |
getTerminiComposition() |
Integer |
getTotalNumDisulfideBonds()
Returns the total number of specified disulfide bonds or null if the number
of disulfides has not been set at any chain level.
|
int |
getTotalNumFreeCysteines()
Returns the total number of free cysteines (or the total number of cysteines if the number
of disulfides has not been set at any chain level.
|
BioSequenceType |
getType() |
protected Map<ProteinXLinkType,Integer> |
getXLinkComposition() |
Set<ProteinXLink> |
getXLinks() |
protected void |
getXLinks(Set<ProteinXLink> inXLinkList) |
boolean |
hasChains() |
int |
hashCode() |
int |
length()
If this Protein object contains a sequence, the length of that sequence is returned.
|
protected void |
recalculateElementalComposition() |
void |
removeXLink(ProteinXLink inXLink) |
Set<ProteinXLink> |
removeXLinks() |
Set<ProteinXLink> |
removeXLinks(ProteinXLinkType inXLinkType) |
void |
setAminoAcidSet(AminoAcidSet inValue) |
void |
setChains(Collection<Protein> inChains)
Specifies the protein's chains.
|
Protein |
setDescription(CharSequence inValue)
Specifies the protein's description.
|
Protein |
setID(String inValue)
Specifies the protein's name / identifier.
|
Protein |
setNCBITaxon(NCBITaxon inValue) |
Protein |
setNumDisulfideBonds(int inValue) |
Protein |
setSequence(CharSequence inValue)
Specifies the protein's sequence.
|
Protein |
setSequence(Reader inReader)
Specifies the protein's sequence.
|
XMLNode |
toXMLNode() |
void |
treatWithPNGaseF()
This method converts the asparagine residue of each putative N-link site
into aspartic acid, mimicing enzymatic treatment with PNGase F to remove N-linked carbohydrates.
|
addDbXref, addFeature, addKeyword, addKeywords, addKeywords, addParseException, addReference, clearDbXrefs, clearFeatures, clearKeywords, clearParseExceptions, clearReferences, getClone, getDbXrefs, getFeatures, getFeatures, getKeywords, getMolType, getNCBITaxon, getParseExceptions, getReferences, getRevisionDate, getSeqRepositoryDivision, getSeqTopology, setClone, setMolType, setReferences, setRevisionDate, setSeqRepositoryDivision, setSeqTopology
containsGaps, equals, getChemicalFormula, getChemicalFormulaWithSubscripts, getDescription, getElementalComposition, getID, getNumGaps, getReverseSequenceStream, getSequence, getSequenceReader, getSequenceStream, getSubSequence, getSubSequenceReader, getTotalGapLength, residueAt, setCompressionThreshold, setNumGaps, setResidueAt, setTotalGapLength, toString
add, add, addAtom, addAtoms, addAtoms, addAtoms, addElementalComposition, addElementalComposition, addElementalComposition, addKa, addKa, calculateMassFromElementalComposition, clearAttributes, clearElementalComposition, formatMassString, getAtoms, getAttribute, getAttributeNames, getKas, getLastAtom, getPhysicalProperty, hasAttribute, hasAttributes, isLocked, lock, massesAreUserSet, name, remove, remove, removeAttribute, setAttribute, setAverageMass, setChemicalFormula, setElementalComposition, setMonoisotopicMass, setName, setOrganicAverageMass, setPhysicalProperty
finalize, getClass, notify, notifyAll, wait, wait, wait
hadParseExceptions
getAttribute, getAttributeNames, getDescription, getID, getSequence, getSequenceReader, getSequenceStream, getSubSequence, getSubSequenceReader, hasAttribute, instantiate, removeAttribute, residueAt, setAttribute
getChemicalFormula, getElementalComposition
public BioSequenceType getType()
getType
in interface BioSequence
getType
in class BioSequenceImpl
public Protein clone()
Molecule
clone
in interface BioSequence
clone
in class BioSequencePlusImpl
public int compareTo(Object inObj2)
compareTo
in interface Comparable
compareTo
in class Molecule
public byte[] getMD5Checksum()
getMD5Checksum
in interface BioSequence
getMD5Checksum
in class BioSequenceImpl
public byte[] getSHA1Checksum()
getSHA1Checksum
in interface BioSequence
getSHA1Checksum
in class BioSequenceImpl
public int getNumChains()
public Protein setID(String inValue)
setID
in interface BioSequence
setID
in class BioSequenceImpl
inValue
- the name / identifier for the proteinpublic Protein setDescription(CharSequence inValue)
setDescription
in interface BioSequence
setDescription
in class BioSequenceImpl
inValue
- the description of the proteinpublic Protein setSequence(CharSequence inValue)
setSequence
in interface BioSequence
setSequence
in class BioSequenceImpl
inValue
- the sequence of the proteinpublic Protein setNCBITaxon(NCBITaxon inValue)
setNCBITaxon
in interface BioSequencePlus
setNCBITaxon
in class BioSequencePlusImpl
public Protein setSequence(Reader inReader)
setSequence
in interface BioSequence
setSequence
in class BioSequenceImpl
inReader
- the sequence of the protein specified via a Readerpublic void setChains(Collection<Protein> inChains)
inChains
- Protein objects that are chains of this Protein objectpublic void addChain(Protein inChain)
inChain
- Protein object that is a chain of this Protein objectpublic void addChains(Collection<Protein> inChains)
inChains
- Protein objects that are chains of this Protein objectpublic void addChains(Protein inChain, int inNumCopies)
inChain
- Protein object that is a chain of this Protein objectinNumCopies
- the number of copies of the specified chain that should be addedpublic boolean hasChains()
public Collection<Protein> getChains()
public Protein getChain(String inChainId)
inChainId
- the id of the chain to returnpublic Collection<Protein> getDistinctChains()
public Collection<Collection<Protein>> getChainStoichiometryGroups()
public Set<String> getChainIds()
public int length()
length
in interface BioSequence
length
in class BioSequenceImpl
public void clearElementalCompositionAndCalculatedProperties()
clearElementalCompositionAndCalculatedProperties
in class BioSequenceImpl
public void setAminoAcidSet(AminoAcidSet inValue)
public AminoAcidSet getAminoAcidSet()
public Protein getParent()
protected void countGaps()
countGaps
in class BioSequenceImpl
public AminoAcidComposition getAminoAcidComposition()
public Map<Element,Float> getElementalComposition(ProteinAnalysisMode inMode)
public Double getMonoisotopicMass()
getMonoisotopicMass
in interface Matter
getMonoisotopicMass
in class BioSequenceImpl
public Double getMonoisotopicMass(ProteinAnalysisMode inMode)
public Double getAverageMass()
getAverageMass
in interface Matter
getAverageMass
in class BioSequenceImpl
public Double getAverageMass(ProteinAnalysisMode inMode)
public Double getOrganicAverageMass()
BioSequenceImpl
Zhang Z, Pan H, Chen X. 2009. Mass spectrometry for structural characterization of therapeutic antibodies. Mass Spectrom Rev 28:147-176.
getOrganicAverageMass
in interface Matter
getOrganicAverageMass
in class BioSequenceImpl
public Double getOrganicAverageMass(ProteinAnalysisMode inMode)
public Float getIsoelectricPoint()
public Float getIsoelectricPoint(KaSet inKaSet)
inKaSet
- the specific set of pKa values to use in calculating the isoelectric pointpublic Float getIsoelectricPoint(KaSet inKaSet, ProteinAnalysisMode inMode)
inKaSet
- the specific set of pKa values to use in calculating the isoelectric pointinMode
- the anlysis mode conditions to apply to the calculationpublic Double getNetCharge(double pH, KaSet inKaSet)
pH
- the specific pH value at which to calculate the protein's net chargeinKaSet
- the specific set of pKa values to use in calculating the isoelectric pointpublic Double getNetCharge(double pH, KaSet inKaSet, ProteinAnalysisMode inMode)
pH
- the specific pH value at which to calculate the protein's net chargeinKaSet
- the specific set of pKa values to use in calculating the isoelectric pointinMode
- the anlysis mode conditions to apply to the calculationpublic Integer getTotalNumDisulfideBonds()
public Protein setNumDisulfideBonds(int inValue)
public int getTotalNumFreeCysteines()
public int getExtinctionCoeff()
This method utilizes the coefficients derived by Pace et al. (1995) Protein Science 4:2411-2423.
public float getPercentExtinctionCoeff()
This method utilizes the coefficients derived by Pace et al. (1995) Protein Science 4:2411-2423.
public float getMillimolarConcFromAbsorbance280(float inAbsorbance)
Abs = PCE Where: Abs = Absorbance at a specific wavelength P = path length of the cell (assumed to be 1 cm) C = concentration in moles / liter E = Molar extinction coeff at a specific wavelength
inAbsorbance
- the observed absorbance at 280nmpublic AminoAcid aminoAcidAt(int inPosition)
public void createNTerminalPyroGlu()
public void treatWithPNGaseF()
public List<SeqLocation> findNLinkedSites()
public XMLNode toXMLNode()
toXMLNode
in interface BioSequence
toXMLNode
in interface HfgXMLSerializable
toXMLNode
in class BioSequencePlusImpl
public Protein addGlycans(Glycan inValue, int inCount)
public List<Glycan> getGlycans()
public void addXLink(ProteinXLink inXLink)
public Set<ProteinXLink> getXLinks()
public void removeXLink(ProteinXLink inXLink)
public Set<ProteinXLink> removeXLinks()
public Set<ProteinXLink> removeXLinks(ProteinXLinkType inXLinkType)
public void clearCalculatedProperties()
clearCalculatedProperties
in class BioSequenceImpl
protected void getXLinks(Set<ProteinXLink> inXLinkList)
protected Map<String,Integer> getComposition()
getComposition
in class BioSequenceImpl
protected Map<Molecule,Integer> getResidueComposition()
getResidueComposition
in class BioSequenceImpl
protected Map<Molecule,Integer> getTerminiComposition()
getTerminiComposition
in class BioSequenceImpl
protected Map<ProteinXLinkType,Integer> getXLinkComposition()
getXLinkComposition
in class BioSequenceImpl
protected void recalculateElementalComposition()
recalculateElementalComposition
in class BioSequenceImpl