public static ProproteinInterfaceSpreadsheetRecord Header()
{
var header = new ProproteinInterfaceSpreadsheetRecord
{
MotifName = "Motif Name",
MotifSource = "Motif Source",
TotalFound = "Total Found",
Direction = "Direction",
ProteinInterfaceLength = "ProteinInterface Length",
MotifAminoAcids = "Amino Acids Motif",
MotifInteractionAminoAcids = "Interaction Amino Acids Motif",
MotifNonInteractionAminoAcids = "Non Interaction Amino Acids Motif",
MotifPhysicochemical = "Physicochemical Motif",
MotifInteractionPhysicochemical = "Interaction Physicochemical Motif",
MotifNonInteractionPhysicochemical = "Non Interaction Physicochemical Motif",
MotifHydrophobicity = "Hydrophobicity Motif",
MotifInteractionHydrophobicity = "Interaction Hydrophobicity Motif",
MotifNonInteractionHydrophobicity = "Non Interaction Hydrophobicity Motif",
MotifPdbSum = "PDBsum Motif",
MotifInteractionPdbSum = "Interaction PDBsum Motif",
MotifNonInteractionPdbSum = "Non Interaction PDBsum Motif",
MotifUniProtKb = "UniProtKb Motif",
MotifInteractionUniProtKb = "Interaction UniProtKb Motif",
MotifNonInteractionUniProtKb = "Non Interaction UniProtKb Motif",
};
for (var index = header.MotifCommonProperties.Length - 1; index >= 6; index--)
{
header.MotifCommonProperties[index] = "Common Properties " + (index + 1) + " / " + header.MotifCommonProperties.Length;
}
for (var index = header.MotifInteractionsCommonProperties.Length - 1; index >= 6; index--)
{
header.MotifInteractionsCommonProperties[index] = "Interaction Common Properties " + (index + 1) + " / " + header.MotifInteractionsCommonProperties.Length;
}
for (var index = header.MotifNonInteractionsCommonProperties.Length - 1; index >= 6; index--)
{
header.MotifNonInteractionsCommonProperties[index] = "Non Interaction Common Properties " + (index + 1) + " / " + header.MotifNonInteractionsCommonProperties.Length;
}
return(header);
}
public static ProproteinInterfaceSpreadsheetRecord Record(List <VectorProteinInterfaceWhole> vectorProteinInterfaceWholeList)
{
if (vectorProteinInterfaceWholeList == null || vectorProteinInterfaceWholeList.Count == 0)
{
return(null);
}
var proteinInterfaceSequenceList = vectorProteinInterfaceWholeList.Select(a => a.ProteinInterfaceAminoAcids1L()).ToList();
var proteinInterfaceInteractionSequenceList = vectorProteinInterfaceWholeList.Select(a => string.Join("", a.ProteinInterfaceAminoAcids1L().Select((b, i) => a.InteractionBools()[i] ? b : ' ').ToList())).ToList();
var proteinInterfaceNonInteractionSequenceList = vectorProteinInterfaceWholeList.Select(a => string.Join("", a.ProteinInterfaceAminoAcids1L().Select((b, i) => !a.InteractionBools()[i] ? b : ' ').ToList())).ToList();
var distinctProteinInterfaceLengths = vectorProteinInterfaceWholeList.Select(a => a.ProteinInterfaceLength).Distinct().ToArray();
var directionFwd = vectorProteinInterfaceWholeList.Count(a => !a.ReversedSequence);
var directionRev = vectorProteinInterfaceWholeList.Count - directionFwd;
string direction = "";
if (directionFwd > 0 && directionRev == 0)
{
direction = "Fwd";
}
else if (directionFwd == 0 && directionRev > 0)
{
direction = "Rev";
}
else
{
direction = "Mix";
}
var record = new ProproteinInterfaceSpreadsheetRecord
{
MotifName = "",
MotifSource = "",
TotalFound = "" + vectorProteinInterfaceWholeList.Count,
Direction = direction,
ProteinInterfaceLength = "" + string.Join(", ", distinctProteinInterfaceLengths),
MotifAminoAcids = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidMotif(proteinInterfaceSequenceList),
MotifInteractionAminoAcids = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidMotif(proteinInterfaceInteractionSequenceList),
MotifNonInteractionAminoAcids = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidMotif(proteinInterfaceNonInteractionSequenceList),
MotifPhysicochemical = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.Physicochemical, proteinInterfaceSequenceList),
MotifInteractionPhysicochemical = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.Physicochemical, proteinInterfaceInteractionSequenceList),
MotifNonInteractionPhysicochemical = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.Physicochemical, proteinInterfaceNonInteractionSequenceList),
MotifHydrophobicity = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.Hydrophobicity, proteinInterfaceSequenceList),
MotifInteractionHydrophobicity = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.Hydrophobicity, proteinInterfaceInteractionSequenceList),
MotifNonInteractionHydrophobicity = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.Hydrophobicity, proteinInterfaceNonInteractionSequenceList),
MotifPdbSum = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.PdbSum, proteinInterfaceSequenceList),
MotifInteractionPdbSum = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.PdbSum, proteinInterfaceInteractionSequenceList),
MotifNonInteractionPdbSum = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.PdbSum, proteinInterfaceNonInteractionSequenceList),
MotifUniProtKb = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.UniProtKb, proteinInterfaceSequenceList),
MotifInteractionUniProtKb = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.UniProtKb, proteinInterfaceInteractionSequenceList),
MotifNonInteractionUniProtKb = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidGroupMotif(AminoAcidGroups.AminoAcidGroups.EnumAminoAcidGroups.UniProtKb, proteinInterfaceNonInteractionSequenceList),
};
for (var index = record.MotifCommonProperties.Length - 1; index >= 6; index--)
{
record.MotifCommonProperties[index] = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidCommonPropertiesMotif(proteinInterfaceSequenceList, AminoAcidPropertyMatchType.MininumMatch, index + 1);
record.MotifInteractionsCommonProperties[index] = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidCommonPropertiesMotif(proteinInterfaceInteractionSequenceList, AminoAcidPropertyMatchType.MininumMatch, index + 1);
record.MotifNonInteractionsCommonProperties[index] = ProproteinInterfaceMotif.FindProteinInterfaceAminoAcidCommonPropertiesMotif(proteinInterfaceNonInteractionSequenceList, AminoAcidPropertyMatchType.MininumMatch, index + 1);
}
return(record);
}