Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLEQQPINHEDRNVPQPIRSDGAGAIDTGPRNIIRDIQNPNIFVPPVTDEGMIPNLRFSFSDAPMKLDHGGWSREITVRQLPISTAIAGVNMSLTAGGVRELHWHKQA-EWAYMLLGRARITAVDQDGRNFIADVGPGDLWYFPAGIPHSIQGL--EHCEFLLVFDDGNFSEFSTLTISDWLAHTPKDVLSANFGVPENAFNSLPSEQVYIYQ-GNVPGSVASEDIQSPYGKVPMTFKHELLNQPP-IQMPGGSVRIVDSSNFPISKTIAAALVQIEPGAMRELHWHPNSDEWQYYLTGQGRMTVFIGNGTARTFDYRAGDVGYVPSNAGHYIQNTGTETLWFLEMFKSNRYADVSLNQWMALTPKELVQSNLNAGSVMLDSLRKKKVPVVKYPGT 2VQA Chain:B ((18-350)) -----------------------------------------------------LPAFTYAFSKTPLVLYDGGTTKQVGTYNFPVSKGMAGVYMSLEPGAIRELHWHANAAEWAYVMEGRTRITLTSPEGKVEIADVDKGGLWYFPRGWGHSIEGIGPDTAKFLLVFNDGTFSEGATFSVTDWLSHTPIAWVEENLGWTAAQVAQLPKKQVYISSYGPASGPLASATPQGQTAKIEVPHTHNLLGQQPLVSLGGNELRLASAKEFPGSFNMTGALIHLEPGAMRQLHWHPNADEWQYVLDGEMDLTVFASEGKASVSRLQQGDVGYVPKGYGHAIRNSSQKPLDIVVVFNDGDYQSIDLSTWLASNP-----SSVLGNTFQISPELTKKLPV------

General information: TITO was launched using: RESULT: Template: 2VQA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1798 -2963 -1.65 -9.03 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -1.65 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_2VQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VQA-query.scw PDB file : Tito_Scwrl_2VQA.pdb: