Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIYLDYAATTPICEEALTVYQKLSMDMYGNASSLHDAGGKAKHILEYCREKIANIIGGEASGIYFTSGGTESNFLAIQSLLN-GLPKTKRHFITTAMEHQSIHNCAAFLEQQGYDVTVIEPNEYGLITEEILLTHIRPETGLVSIQHANSETGIIQPIQHLSSYLHNKGILLHCDAVQTFGKIPINTKNLGVDALSMSSHKIHGPKGVGAVYIR-------PDVPWKPVYPLTTHEYGFRAGTVNVPGIGAFTAAAELIVSEMEKQISRNEALRTYFLDQIRIRSLPVTLAADTSKAECLPHIIGCFFHSFEGQYVMLECNRSNICISTGSACSAGYHGPSETMKALRKTEQEALQFIRISFGRHTTAEQLEQLLHTFTVLWEQKKGEFDIDRRIKANGRQQA 3VAX Chain:B ((22-376)) -TYLDAAATTRVDQRVADIVLHWMTAEFGNAGSRHEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDLTT-PIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIFEAEHAQWQVAAQDLRSRLLAGLASTSFQVNGDQD----HVVPHILNLSFEDVDAEAFLVTL-KDLVAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFSW-----------------------------------------

General information: TITO was launched using: RESULT: Template: 3VAX.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 : 1807 -46003 -25.46 -132.57 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -25.46 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_3VAX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VAX-query.scw PDB file : Tito_Scwrl_3VAX.pdb: