Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCTSLTLETADRKHVLARTMDFAFQLGTEVILYPRRYSWNSEADGRAHQTQYAFIGMGRKLGNI-LFADGINESGLSCAALYFPGYAEYEKTIREDTVHIVPHEFVTWVLSVCQSLEDVKEKIRSLTIVEKKLDLLDTVLPLHWILSDRTGRNLTIEPRADGLKVYDNQPGVMTNSPDFIWHVTNLQQYTGIRPKQLESKEMGGLALSAFGQGLGTVGLPGDYTPPSRFVRAVYLKEHLEPAADETKGVTAAFQILANMTIPKGAVITEEDEIHYTQYTSVMCNETGNYYFHHYDNRQIQKVNLFHEDLDCLEPKVFSAKAEESIHELN 2BJG Chain:A ((2-329)) -CTGLALETKDGLHLFGRNMDIEYSFNQSIIFIPRNFKCVNKSNKKELTTKYAVLGMGTIFDDYPTFADGMNEKGLGCAGLNFPVYVSYSKEDIEGKTNIPVYNFLLWVLANFSSVEEVKEALKNANIVDIPISENIPNTTLHWMISDITGKSIVVEQTKEKLNVFDNNIGVLTNSPTFDWHVANLNQYVGLRYNQVPEFKLGDQSLTALGQGTGLVGLPGDFTPASRFIRVAFLRDAMIKNDKDSIDLIEFFHILNNVAMVRGSTRTVEEKSDLTQYTSCMCLEKGIYYYNTYENNQINAIDMNKENLDGNEIKTYKYNKTLSINHVN

General information: TITO was launched using: RESULT: Template: 2BJG.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 : 1771 -57589 -32.52 -176.11 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -32.52 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_2BJG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BJG-query.scw PDB file : Tito_Scwrl_2BJG.pdb: