Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATIDLQKKSVKIVLEKKQLTKVTARVGLVLDITGSMRPLYKNGTVQNVVERILAVADQFDDNGLLDVWVYDNEFSRLKPVSEKDFSGYVDREILNNDRLHKFGRNDEPPVMKDVLRKYVTEEPSSYPAFIVFINDGGCKK----SIKPIIEASSDKPVFWQFVGIGNGNFDFLNKLDTLEGRVIDNTNFLHIEEIDRISDDELYDALLAEFPFWLKEAKEKGIVREQEPPAEKPKKKGFFSRLFSK 1SHU Chain:X ((5-156)) ----------------------RAFDLYFVLDKSGSVANNW--IEIYNFVQQLAERF--VSPEMRLSFIVFSSQATIILPLTGD--RGKISKGLEDLKRVSPVGETYIHEGLKLANEQIQKAGGLKTSSIIIALTDGKLDGLVPSYAEKEAKISRSLGASVYCVGVLDFEQAQLERIADS-------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1SHU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 776 -88262 -113.74 -596.36 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain X : 0.63 3D Compatibility (PKB) : -113.74 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_1SHU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SHU-query.scw PDB file : Tito_Scwrl_1SHU.pdb: