Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGIINLKKEAGMTSHDAVFKLRKILGTKKIGHGGTLDPDVVGVLPIAVGKATRMVEFMQDEGKIYEGEIILGYSTTTEDASGEVVAETPVLSSLDEKLVDEAIASLTGPITQIPPMYSAVKVNGRKLYEYARAGQEVERPERQVIIYQFERTSPISYDGQLARFTFRVKCSKGTYIRTLSVDLGEKLGYAAHMSHLTRTSAAGLQLEDAL-ALEEIAEKVEAGQLD--------FLHPLEIGTGDLVKVFLTPEEATEVRFGRFIELDQTDKELAAFEDDKLLAILEKRGNLYKPRKVFS 3HAY Chain:A ((47-296)) --GVINLDKPPGPTSHEVVAWIKKILNLEKAGHGGTLDPKVSGVLPVALEKATRVVQALLPAGKEY-------------------VALMHLHGDVPEDKIIQVMKEFEGEIIQRPPLRSAVKRRLRTRKVYYIEVLEIE--GRDVL--------------------FRVGVEAGTYIRSLIHHIGLALGVGAHMSELRRTRSGPFKEDETLITLHDLVDYYYFWKEDGIEEYFRKAIQPMEKAVEHLPKVWIKDSAVAAVTHGADLAVPGIAKLHAGIKRGDLVAIMTLKDEL--------

General information: TITO was launched using: RESULT: Template: 3HAY.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 : 1038 -71397 -68.78 -296.25 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -68.78 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_3HAY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HAY-query.scw PDB file : Tito_Scwrl_3HAY.pdb: