Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIKSERISLKHLLTVEALTDQEVMGLIRRGQEFKQGANWTPQKRQYFATNLFFENSTRTHKSFDVAEKKLGLEVIEFEASTSSVQKGETLYDTVLTMSALGVDVAVIRHGDE-NYYDELIQSKTIQCSIINGGDGSGQHPTQCLLDLMTIYEEFGHFEGLKVAIVGDITHSRVAKSNMQMLKRLGAQVFFSGPREWYDDE-----FEVYGHYMPLDELLDQVDVMMMLRVQHERHDGKESFSKEGYHQEHGLTVERAKKLQKHAIIMHPAPVNRDVELADSLVEGLQSRIVQQMSNGVFVRMAILEAVLNGKA 4BJH Chain:B ((32-321)) ---------MRSLISSLDLTREEVEEILKYAKEFKEG--KEETI-KASAVLFFSEPSTRTRLSFEKAARELGIETYLVSGSESSTVKGESFFDTLKTFEGLGFDYVVFRVPFVFF--PYKEIVKSLNLRLVNAGDGTHQHPSQGLIDFFTIKEHFGEVKDLRVLYVGDIKHSRVFRSGAPLLNMFGAKIGVCGPKTLIPRDVEVFKVD---VFDDVDKGIDWADVVIWLRLQKERQKENYIPSESSYFKQFGLTKERFEK---VKLYMHPGPVNRNVDIDHELVYTEKSLIQEQVKNGIPVRKAIYKFLW----

General information: TITO was launched using: RESULT: Template: 4BJH.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 : 1559 -21744 -13.95 -76.56 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -13.95 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_4BJH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BJH-query.scw PDB file : Tito_Scwrl_4BJH.pdb: