Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKELSRLVHRSFHIIPRQEDFRPLALGASGRTIVRIHFGGRTCIGIQWGND---RADNDSFIPAARHLHAHGVNVPEIYDYEPLGPGCGAALVEDLGDA-NLLAFRKEPWPSLRLRYIRAMEQLHLLHSCPFPEEFPLQPAFDEALYRWEQSYFAEHFLGSHLGLETASFLNHPALKEQAQFLAA--LPECPVHRDSQSQNVHIHA-GKTWLIDFQGMRGGRPEYDLASLVYDGYARLEPEQADELLREWENISAHSIDHRIFRACALQRIMQMLGAYANIGHNQGKTWYLAQIPAGLGHLRKLLPGSTLAEPLAAMLA 4R78 Chain:A ((38-252)) ----------------EVLSVEQL-GGMTNQNYLAKTT-NKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDI----EAGIKVNEYIESAITLDSTS------IKTKFDKIAPILQTIHTSAKELRGE-FAPFE------EIKKYESLIEEQ-IPYAN-YESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLES--EFTSQEEETFLSHYESDQ-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R78.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 : 822 24638 29.97 118.45 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 29.97 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.193

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: