Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequence--------------------------------------------------------------------------------------------------------------------------------------------------------AAAGPTSPKSGEQKQQVPVCLVQLLEGDLF---WKFYTARPGELYAFAIENLSGIFITAKDCTIKDVYGKKIRRRFTLKS----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5IRL Chain:A ((5-830))EAAACKKYMSKLRTIVAAQSRFLNLCLEDIYTENTLEVRTAALGLEELFSDADTVLVVGEAGSGKSTLLQQVHLLWATGQDFQEFLFVFPFSCRQLQCVARPLSVMTLLFEHCCWPDVGQQDVFQFLLDHPDRILLTFDGFDEFKFKFTDHERHCSPTDPTS------VQTLLFNLLQGNLLKNARKVLTSRPDAVSAFLR--------------------KYVRTEFNLKGFSEEGIELYLRKCHREPGVADRLIHLLQTTSALHGLCHLPVFSWMVSKCHQELLLQDGGSPKTTTDMYLLILQHFLRHASLLQGRLPTLLRLGQLALWGLGMCCYVFSAQQLQAAQVDPDDISLGFLVQAPLEFLHITFQCFLAAFYLVLSTDVPTASLRYLFNCSTVAALLQKTEPHNLQITAAFLAGLLSREHRDLLAACQASERSLLRRRACARWCLARSLHKHFRSIPAMPGFLWLIRSLYEMQEERLAQEAVRGLNVEHLKLTFCGVGPAECAALAFVLRHLRRPVALQLDHNSVGDIGVEQLLPCLGACKALYLRDNNISDRGICKLIEHALHCEQLQKLALFNNKLTDGCAHSVAQLLACKQNFLALRLGNNHITAEGAQVLAEGLRDNSSLQFLGFWGNKVGDKGAQALAEALSDHQSLKWLSLVGNNIGSVGAQALASMLEKNVALEELCLAANHLQDAGVCSLAEGLKRNSSLKVLKLSNNCITFVGAEALLQALASNDTILEVWLRGNPFSPEEMEALSHRDSRLLL


General information:
TITO was launched using:
RESULT:

Template: 5IRL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 55 -2037 -37.04 -39.94
target 2D structure prediction score : 0.53
Monomeric hydrophicity matching model chain A : 0.51

3D Compatibility (PKB) : -37.04
2D Compatibility (Sec. Struct. Predict.) : 0.53
1D Compatibility (Hydrophobicity) : 0.51
QMean score : 0.144

(partial model without unconserved sides chains):
PDB file : Tito_5IRL.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5irl-query.scw
PDB file : Tito_Scwrl_5IRL.pdb: