Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAELNKTKVRKELRTERPSIYSFELDEIKQWLTDNGEKPFRAAQIFEWLYEKRVSSFEDMTNLSKDLREKLNTRFVLTTLKTAVKQTSQDGTMKFLFELHDGYTIETVLMRHEYGNSVCVTTQVGCRIGCTFCASTLGG---LKRNLEAGEIVAQVVKVQKALDETDERVSSVVIMGIGEPFDNFNEMLAFLKIINHDKGLNIGARHITVSTSGIIPK----IYEFADQQMQINFAISLHAPNTEIRSRLMPINRAYKLPDLMEAVKYYINKTGRRISFEYGLFGGVNDQVEHAEELADLLEGVK--CHVNLIPVNYVPERD------------YVRTPRDQIFAFEKTLKSRGVNVTIRREQGHDIDAACGQLRAKERQDETR 3C8F Chain:A ((19-245)) -------------------------------------------------------------------------------------------------------------------GIRFITFFQGCLMRCLYCHNRDTWDTHGGKEVTVEDLMKEVVTYRHFM---NASGGGVTASG-GEAILQAEFVRDWFRACKK-EGI-----HTCLDTNGFVRRYDPVIDELLE--VTDLVMLDLKQMNDEIHQNLVGV----SNHRTLEFAKYLAN-KNVKVWIRYVVVPGWSDDDDSAHRLGEFTRDMGNVEKIELLPYHELGKHKWVAMGEEYKLDGVKPPKKETMERVKGILEQYGHKVMF-------------------------

General information: TITO was launched using: RESULT: Template: 3C8F.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 : 1000 -147688 -147.69 -716.93 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -147.69 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.618

(partial model without unconserved sides chains): PDB file : Tito_3C8F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C8F-query.scw PDB file : Tito_Scwrl_3C8F.pdb: