Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKKWSGLFVIAACFLLVAACGNSSTKGSADSKGDKLHVVTTFYPMYEFTKQIVKDKGDVDLLIPSSVEPHDWEPTPKDIANIQDADLFVYNSEYMETWVPSAEKSMGQGHAVFVNASKGIDLMEGSEEEHEEHDHGEHEHSHAMDPHVWLSPVLAQKEVKNITAQIVKQDPDNKEYYEKNSKEYIAKLQDLDKLYRTTAKKA--EKKEFITQHTAFGYLAKEYGLKQVPIAGLSPDQEPSAASLAKLKTYAKEHNVKVIYFEEIASSKVADTLASEIGAKTEVL---NTLEGLSKEEQDKGLGYIDIMKQNLDALKDSLLVKS 4XRV Chain:A ((26-307)) -----------------------------------PLDVVATFSIIGDFAAKVGGDRIRLNVLVGPDSDTHVYEPRPADAIALAGADVVLTNGLEFEGFLTRLIAASGT-DAAVATLTDGVETMEE------------------HDPHAWQAVPNAKVYVQNIAAAFCAADAEGCAAYQANAARYIGELDALDTEIRAAIAALPQDRRTVVVAHNAFRYFEAAYGVHFLSPQGVST--------VAGLIREIRARNASAIFAENISDTRLLEQIAREAGLPLAGTLYSDALSGPD----GPASNYIAMMRHNAGAIAAALA---

General information: TITO was launched using: RESULT: Template: 4XRV.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 : 1347 -124067 -92.11 -496.27 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -92.11 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_4XRV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XRV-query.scw PDB file : Tito_Scwrl_4XRV.pdb: