Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MDYADYDKALYY-THRSQWDNLLILMVRTEDDLLSKRIEHFLHAYHFEQDYAVLEKMLYSLLRYIDHATELTYEDQIALLT-------- 4BFA Chain:A ((22-338)) ASMRVLLAPMEGVLDSLVRELLTEVNDYDLCITEFVRVVDQLLPVKVFHRICPELQNASRTPSGTLVRVQLLGQFPQWLAENAARAVELGSWGVDLNCGCPSKTVNGSGGGATLLKDPELIYQGAKAMREAVPAHLPVSVKVRLGWDSGEKKFEIADAVQQAGATELVVHGRTKEQGYRAEHIDWQAIGDIRQRLNIPVIANGEIWDWQSAQQCMAISGCDAVMIGRGALNIPNLSRVVKYNEPRMPWPEVVALLQKYTR-LEKQGDTGLYHVARIKQWLSYLRKEYDEATELFQHVRVLNNSPDIARAIQAIDIEKL

General information: TITO was launched using: RESULT: Template: 4BFA.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 : 246 -32376 -131.61 -409.82 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -131.61 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.316

(partial model without unconserved sides chains): PDB file : Tito_4BFA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BFA-query.scw PDB file : Tito_Scwrl_4BFA.pdb: