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

General information: TITO was launched using: RESULT: Template: 3PDE.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 : 1087 -56388 -51.87 -229.22 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -51.87 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3PDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PDE-query.scw PDB file : Tito_Scwrl_3PDE.pdb: