Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLTDFSAIHLPAVEKEILSFLDEHTTDRGLYDAMSYSVKAGGKRIRPLLLLTAVASFDEPIDVPVYQVAAALEMVHTYSLIHDDLPAMDNDDLRRGKPTNHKVFGEALAILAGDGLLTGAFQLISMAHLGNSP----KLLLLQQLAVCAGSQGMVAGQAADIEGESKK--LSLEELAFIHERKTGHLIRYALLAGGILAKQPEEILLLLQRLAEHLGLAFQIRDDLLDVIGTTKTLGKTAGKDERMEKNTYPRLLGLEKTREALEIELLSANKIIDKLEEDVFSFDGGLMRQMIKQFDVEK 4LLS Chain:A ((51-275)) ------------------------------IVEAMAHAT-SGGKRLRGFLVLETARLHDIAAGEAIWS-ATAIEALHAYSLVHDDLPCMDNDDMRRGQPTVHKKWDDATAVLAGDALQTLAFELVT--HPGASASAEVRADLALSLARASGAQGMVLGQALDIAAETARAPLSLDEITRLQQGKTGALIGWSAQAGARLAQADTAA---LKRYAQALGLAFQIADDILDVTGDSAQVGKAVGKDASAGKATFVSLLGLDAAR----------------------------------------

General information: TITO was launched using: RESULT: Template: 4LLS.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 : 1019 -18416 -18.07 -84.09 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -18.07 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_4LLS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LLS-query.scw PDB file : Tito_Scwrl_4LLS.pdb: