Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIALIATEKLPVPSVRGGAIQIYLEAVAPLIAKKHEVTVFSIKDPNLADREKVDGVHYVHLDEDRYEEAVGAELKKSRFDLVHVCNRPSWVPKLKKQAPDAVFILSVHNEMFAYDKISQAEGEICIDSVAQIVTVSDYIGQTITSRFPSARSKTKTVYSGVDLKTYHPRWTNEGQRAREEMRSELGL-HGKKIVLFVGRLSKVKGPHILLQALPDIIEE-HPDVMMVFIGSKWFGDNELNNYVKHLHTLGAMQKDHVTFIQFVKPKDIPRLYTMSDVFVCSSQWQEPLARVHYEAMAAGLPIITSNRGGNPEVIEEGKNGYIIHDFENPKQYAERINDLLSSSEKRERLGKYSRREAESNFGWQRVAENLLSVYEKNR 3MBO Chain:A ((202-402)) -----------------------------------------------------------------------------------------------------------------------------------------------------------QTVYNFIDERVYF-------KRDMTQLKKEYGISESEKILIHISNFRKVKRVQDVVQAFAKIVTEVDAKLLLVGDGPEFCTILQL---VKNLHI-----EDRVLFLG--KQDNVAELLAMSDLMLLLSE-KESFGLVLLEAMACGVPCIGTRVGGIPEVIQHGDTGYLC-EVGDTTGVADQAIQLLKDEELHRNMGERARESVYEQFRSEKIVSQYETIY----

General information: TITO was launched using: RESULT: Template: 3MBO.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 : 1016 -27864 -27.42 -140.02 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -27.42 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_3MBO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MBO-query.scw PDB file : Tito_Scwrl_3MBO.pdb: