Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKILVTGAAGFIGSHLCEELLKDKKHNVIGIDDFIGPTPFSLKLKNLKNLLPEKRFTFIKENLLTADLASLLEGVDVIFHLAAIPGVRSSWGNHFHPYAAHNIQALQRLLEACREHSIQTFVFASTSSVYGEKQG-KVSENTSLSPLSPYGVTKLTGEKLCHVYKQSFGIPIV-ILRFFTVYGPRQRPDMAFHRLIKQHLQQKPLTIFGDGQQSRDFTYISDCVKGITAVLGKPHLIGETVNIGGAERASVLKVVSLIEDISGRKATLHFSDKIAGEPSNTWADISKAKQLLHYDPATSLKDGLTNEIAYLSSLYQGE 3VPS Chain:A ((9-253)) -RILITGGAGFIGGHLARALVASGEEVTV-LDDLRVP----------PMIPPEGTGKFLEKPVLELEERDLSD-VRLVYHLASHKSVPRSFKQPLD--YLDNVDSGRHLLALCTSVGVPKVVVGSTCEVYGQADTLPTPEDSPLSPRSPYAASKVGLEMVAGAHQRASVAPEVGIVRFFNVYGPGERPDALVPRLCANLLTRNELPVEGDGEQRRDFTYITDVVDKLVALANRP--LPSVVNFGSGQSLSVNDVIRILQATS--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VPS.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 : 1280 -71251 -55.66 -293.21 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -55.66 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_3VPS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VPS-query.scw PDB file : Tito_Scwrl_3VPS.pdb: