Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKHVNKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYGTYEDCKDADIVCICAGANQKPGETRLELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVHAHIIGEHGDTELPVWSHANVGGVPVSELV-----EKNDAYKQEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKPHFAEQKVN 1LLD Chain:B ((9-311)) ------KLAVIGAGAVGSTLAFAAAQRGIAREIVLEDIAKERVEAEVLDMQHGSSFYPTVSIDGSDDPEICRDADMVVITAGPRQKPGQSRLELVGATVNILKAIMPNLVKVAPNAIYMLITNPVDIATHVAQKLTGLPENQIFGSGTNLDSARLRFLIAQQTGVNVKNVHAYIAGEHGDSEVPLWESATIGGVPMSDWTPLPGHDPLDADKREEIHQ---EVKNAAYKIINGKGATNYAIGMSGVDIIEAVLHDTNRILPVSSMLKDFHGISDICMSVPTLLNRQGVNNTINTPVSDKELAALKRSAETLK-------------

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 B - contact count / total energy / energy per contact / energy per residue : 1639 -204208 -124.59 -685.26 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -124.59 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.552

(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: