Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFEKIRSDMNPHQAYRIKKLQCQLDMAESYEEWKSFALKLDEETGAQEWKFDNSSPYFDAELISYRYTLLKRYRQQHRTLDLIYLLKEGLTYDIANIGHPMLFAATHVGTKKLIEDYIEEVSQSLAYIASSECITFQRKEKIEFFENCEKAYGQPALMFSGGATLGLFHTGVCKALIEQDLMPKVLSGSSAGAIMTGMLGI-SASEDIQNLLNGEQFFS--DAFHFRKLRELIKGNGGIADVHYLKKFLIENLGD----LTFEEAFKKSGLNINVAVAPYDATENPRIMNAIMTPNVLVWSAVLASCAVPVLFPPVRLTSKRYDGEHTPYMANTKWVDGSVRSDFPQERMARLYNLNYTIASQVNPHVVPFMQDDARRFRKDVLSWPERILRRQGKVLSMGLMDFTRQRLGAISPVRRLLDHGYGVVGQRYYGDVNIIAKYSLKHYAYTLQNPRPHLFKRLQREGERATWPKISSIETHARIGKTIQHCLEVLRFEEKKQQPESYYAEA 5FYA Chain:A ((4-292)) --------------------------------------------------------------------------------------------------------------------------------------------------------PKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTSMGAVVGGLYASGYTPAELERIALEMDWQQAL--------------PLGVIQGQNLAMVLESLLVHTSDNRDFDK----LAIPFRAVS-TDIATGEKVVFRK-----GHLPQAIRASMSIPAVFAPVEIDGR-------------LLVDGGMVDNIPVDVARD-MGVDVVIVVDIGNPLRDR-K-DLST-------------------VLDVMN-------QSITLMTRKNSE--AQLATLKPGDVLIQPPLSG--Y-GTT---DFGRVPQLIDAGYRATTVLAARLAEL------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 1437 -31309 -21.79 -127.27 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -21.79 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.366

(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: