Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKHVNKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYG-T-YEDCKDADIVCICAGANQKPGETRLELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVHAHIIGEHGDTELPVWSHANVGGVPVSELVEKN--DAYKQEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKPHFAEQKVN 1LLD Chain:A ((7-316)) ----PTKLAVIGAGAVGSTLAFAAAQRGIAREIVLEDIAKERVEAEVLDMQHGSSFYP-TVSI-DGSDDPEICRDADMVVITAGPRQKPGQSRLELVGATVNILKAIMPNLVKVAPNAIYMLITNPVDIATHVAQKLTGLPENQIFGSGTNLDSARLRFLIAQQTGVNVKNVHAYIAGEHGDSEVPLWESATIGGVPMSDWTPLPGHDPLDADKREEIHQEVKNAAYKIINGKGATNYAIGMSGVDIIEAVLHDTNRILPVSSMLKDFHGISDICMSVPTLLNRQGVNNTINTPVSDKELAALKRSAETLKETAAQ--------

General information: TITO was launched using: RESULT: Template: 1LLD.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 : 1690 -228830 -135.40 -747.81 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -135.40 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.634

(partial model without unconserved sides chains): PDB file : Tito_1LLD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LLD-query.scw PDB file : Tito_Scwrl_1LLD.pdb: