Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFKDMKRG-NLMKKISNEI--QILAETLTLPKVVIEQMIVQAKNILDEVFEQYSHELMDPNK---------------AKATAKKIDKVYEEEPFAALAIYLYAASQSWKKIYQP------LKIPRTIYLATMNAFTRFIHEHFQVTGSYRFDRGFWIWHYTSGLIFRIGELE-YEMTYF----PKGYTDLRLEGKQCLSLHIPSDADLSQN-KIRDSYESAIRFFELYFPDYHYQVMYTDTWLLSPNLTKWLKKE------SKICLFAADYRLLSVDEQDDSGVPWIFGRVDAQIHD----YPESTSLQRQAKEQLLAGEHIGSGLGILTS--- 4BFA Chain:A ((22-338)) ---ASMRVLLAPMEGVLDSLVRELLTEVNDYDLCITEFVRVVDQLLPVKVFHRICPELQNASRTPSGTLVRVQLLGQFPQWLAENAARAVELG---SWGVDLNCGCPS-KTVNGSGGGATLLKDPELIYQG-AKAMREAVPAHLPVSVKVRL--GWDSGEKKFEIADAVQQAGATELVVHGRTKEQGYRAEHIDWQAIGDIRQRLNIPVIANGEIWD-WQSAQQCMAISGCD---AVMIGRGALNIPNLSRVVKYNEPRMPWPEVVALLQKYTRL--EKQGDTGL-YHVARIKQWLSYLRKEYDEATELFQHVR-VLNNSPDIARAIQAIDIEKL

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 : 1597 -9057 -5.67 -33.05 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -5.67 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.275

(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: