Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFEKIRSDMNPHQAYRIKKLQCQLDMAESYEEWKSFALKLDEETGAQEWKFDNSSPYFDAELISYRYTLLKRYRQQHRTLDLIYLLKEGLTYDIANIGHPMLFAATHVGTKKLIEDYIEEVSQSLAYIASSECITFQRKEKIEFFENCEKAYGQPALMFSGGATLGLFHTGVCKALIEQDLMPKVLSGSSAGAIMTGMLGI-SASEDIQNLLNGEQFFSDAFHFRKLREL---IKGNGGIADVHYLKKFLIENLGD----LTFEEAFKKSGLNINVAVAPYDATENPRIMNAIMTPNVLVWSAVLASCAVPVLFPPVRLTSKRYDGEHTPYMANTKWVDGSVRSDFPQERMARLYNLNYTIASQVNPHVVPFMQDDARRFRKDVLSWPERILRRQGKVLSMGLMDFTRQRLGAISPVRRLLDHGYGVVGQRYYGDVNIIAKYSLKHYAYTLQNPRPHLFKRLQREGERATWPKISSIETHARIGKTIQHCLEVLRFEEKKQQPESYYAEA 5FYA Chain:B ((3-293)) -------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTSMGAVVGGLYASGYTPAELERIALEMDWQQ-----------DGTLG----VIQGQNLAMVLESLLVHTSDNRDFDK----LAIPFRAVS-TDIATGEKVVFRK-----GHLPQAIRASMSIPAVFAPVEIDGR-------------LLVDGGMVDNIPVDVARD-MGVDVVIVVDIGNPLRDR-K-DLST-------------------VLDVMN-------QSITLMTRKNSE--AQLATLKPGDVLIQPPLSG--Y-GTT---DFGRVPQLIDAGYRATTVLAARLAELR-----------------------------

General information: TITO was launched using: RESULT: Template: 5FYA.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 : 1451 -39580 -27.28 -160.24 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -27.28 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.363

(partial model without unconserved sides chains): PDB file : Tito_5FYA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FYA-query.scw PDB file : Tito_Scwrl_5FYA.pdb: