Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLHVQTASSSYPVFIGQGIRKKA-CELLTSLNRPLTRIMFVTDEEVDRLYGDEMLHLLQEKWPVK--KVTVPSGEQAKSMDMYTKLQSEAIRFHMDRSSCIIAFGGGVVGDLAGFVAATFMRGIDFIQMPTTLLAH-DSAVGGKVAVNHPLGKNLIGAFYQPKAVLYDTDFLRSLPEKELRSGMAEVIKHAFIYDRAFLEELLN-IHSLRDITNDQLNDMIFKGISIKASVVQQDEKEEGIRAYLNFGHTLGHAVEAEYGYGQITHGDAVALGMQFALYISEKTVGCE-MDRKRLVSWLKSLGYPSQIRKETETSVLLNRMMNDKKTRGGKIQFIVLNELGKVADHTF-SRNELESWLNKWRLEETS 3QBE Chain:A ((19-366)) -------AVDPPYPVVIGTGLLDELEDLLA-----DRHKVAVVHQPGLAE-TAEEIRKRLAGK-GVDAHRIEIPDAEAGKDLPVVGFIWEVLGRIGIGRKDALVSLGGGAATDVAGFAAATWLRGVSIVHLPTTLLGMVDAAVGGKTGINTDAGKNLVGAFHQPLAVLVDLATLQTLPRDEMICGMAEVVKAGFIADPVILDLIEADPQAALDPAGDVLPELIRRAITVKAEVVAA----SELREILNYGHTLGHAIERRERYR-WRHGAAVSVGLVFAAELARLAGRLDDATAQRHRTILSSLGLPVSYDP-DALPQLLEIMAGDKKTRAGVLRFVVLDGLAKPGRMVGPDPGLLVTAYAGVC-----

General information: TITO was launched using: RESULT: Template: 3QBE.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 : 1892 -34746 -18.36 -103.10 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -18.36 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.606

(partial model without unconserved sides chains): PDB file : Tito_3QBE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QBE-query.scw PDB file : Tito_Scwrl_3QBE.pdb: