Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKPFVFITKPIPEEIEAFIGEHCRYEVWQED-TLPSDVLFEKLKEAEGLLTSGTSGPSINRELLEHAPKLKVVSNQSVGYDNFDIEAMKERGVVGTHTPYTLDDTVADLAFSLILSSARRVAELDRFVRAGKWGTVEEEALFGIDVHHQTLGIIGMGRIGEQAARRAKFGFDMEVLYHNRHR-KQETEDSIGVKYAELDTLLEQSDFILLITPLTDETYHMIGEREFKLMKNSAIFVNISRGKTVDEKALIRALQEGWIRGAGLDVYEKE-------PVTQDNPLLQLDNVTLLPHIGSATAKVRFNMCKQAAENMLAAIQGQTPKNLTREFQ 4E5P Chain:F ((3-323)) ---PKLVITHRVHEEILQLLAPHCELITNQTDSTLTREEILRRCRDAQAMMAFMPD--RVDADFLQACPELRVIGCALKGFDNFDVDACTARGVWLTFVPDLLTVPTAELAIGLAVGLGRHLRAADAFVRSGQFRGWQPR-FYGTGLDNATVGFLGMGAIGLAMADRLQ-GWGATLQYHARKALDTQTEQRLGLRQVACSELFASSDFILLALPLNADTLHLVNAELLALVRPGALLVNPCRGSVVDEAAVLAALERGQLGGYAADVFEMEDWARADRPQQIDPALLAHPNTLFTPHIGSAVRAVRLEIERCAAQNILQALAGERPIN------

General information: TITO was launched using: RESULT: Template: 4E5P.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1585 -40386 -25.48 -129.44 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain F : 0.78 3D Compatibility (PKB) : -25.48 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.638

(partial model without unconserved sides chains): PDB file : Tito_4E5P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E5P-query.scw PDB file : Tito_Scwrl_4E5P.pdb: