Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRGGNRLGAGRKVIPESEKKKRKSVYITDKLYTRIMDTDIENCNNFSQKCMALIELAMENLNKNNQEHSVKRNNILMVRDTKSTYNKTNNNFEKQNRGIKLTFIDLFAGIGGIRLGFEDKYTKCVFSSEWDKYAAQTYEANYGEKPHGDITKINENDIPDQDVLLAGFPCQPFSNIGKREGFAHERRNIIFDVLRILKKKQPKMFLLENVKGLLTNDNGNTFRVILDNLKSLGYSVFYEVMDAQNFGLPQRRERIVIVGFHPDLGINDFSFPKGN-----------PDNKVPI------NAILEHNPTGYSISKRLQESYLFKKDDGKPQIVDFRCTYQVNTLVASYHKIQRLTGTFVKDGETGLRLFSELELKRLMGFPVDFKVPVSRTQMYRQFGNSVAVPMIKAVAGAMKERLLLAEMQVLKK 1MHT Chain:A ((6-315)) --------------------------------------------------------------------------------------------DKQLTGLR--FIDLFAGLGGFRLALESCGAECVYSNEWDKYAQEVYEMNFGEKPEGDITQVNEKTIPDHDILCAGFPCQAFSISGKQKGFEDSRGTLFFDIARIVREKKPKVVFMENVKNFASHDNGNTLEVVKNTMNELDYSFHAKVLNALDYGIPQKRERIYMICFRNDLNIQNFQFPKPFELNTFVKDLLLPDSEVEHLVIDRKDLVMTNQEIEQTTPKTVRLGIVGKGGQGE-RIYSTRGI--AITLSAYGGGIFAKTGGYLVNGKT--RKLHPRECARVMGYPDSYKVHPSTSQAYKQFGNSVVINVLQYIA-----------------

General information: TITO was launched using: RESULT: Template: 1MHT.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 : 1470 -94370 -64.20 -322.08 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -64.20 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_1MHT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MHT-query.scw PDB file : Tito_Scwrl_1MHT.pdb: