Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLTDFSAIHLPAVEKEILSFLDEHTTDRGLYDAMSYSVKAGGKRIRPLLLLTAVASFDEPIDVPV--YQVAAALEMVHTYSLIHDDLPAMDNDDLRRGKPTNHKVFGEALAILAGDGLLTGAFQLISMAHLGNSPKLLLLQQLAVCAGSQGMVAGQAADIEGESKKLSLEELAFIHERKTGHLIRYALLAGGILAKQPEEILLLLQRLAEHLGLAFQIRDDLLDVIGTTKTLGKTAGKDERMEKNTYPRLLGLEKTREALEIELLSANKIIDKLEEDVFSFDGGLMRQMIKQFDVEK 3M9U Chain:B ((7-265)) -RLIAFEDQWVPALNAPLKQAILADSQDAQLAAAMTYSVLAGGKRLRPLLTVATMQSLGVTF-VPERHWRPVMALELLHTYSLIHDDLPAMDNDALRRGEPTNHVKFGAGMATLAGDGLLTLAFQWLTATDLPATMQAALVQALATAAGPSGMVAGQAKDIQSEHVNLPLSQLRVLHKEKTGALLHYAVQAGLILGQAPEAQWPAYLQFADAFGLAFQIYDDILDVVS-------------DEAKNTYPGKLGLIGANQAL-------------------------------------

General information: TITO was launched using: RESULT: Template: 3M9U.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 : 1073 -52450 -48.88 -214.96 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -48.88 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.570

(partial model without unconserved sides chains): PDB file : Tito_3M9U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M9U-query.scw PDB file : Tito_Scwrl_3M9U.pdb: