Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATIDLQKKSVKIVLEKKQLTKVTARVGLVLDITGSMRPLYKNGTVQNVVERILAVADQFDDNGLLDVWVYDNEFSRLKPVSEKDFSGYVDREILNNDRLHKFGRNDEPPVMKDVLRKYVTEEPSSYPAFIVFINDG----GCKKSIKPIIEASSDKPVFWQFVGIGNGNFDFLNKLDTLEGRVIDNTNFLHIEEIDRISDDELYDALLAEFPFWLKEAKEKGIVREQEPPAEKPKKKGFFSRLFSK 1SHU Chain:X ((2-182)) -------------------SCRRAFDLYFVLDKSGSVANNWIE--IYNFVQQLAERFV--SPEMRLSFIVFSSQATIILPLTGD--RGKISKGLEDLKRVSPVGETYIHEGLKLANEQIQKAGGLKTSSIIIALTDGKLDGLVPSYAEKEAKISRSLGASVYCVGVLDFEQAQLERIADSKEQVFPVKG-------GFQALKGIINSILAQSC----------------------------------

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 : 939 -106802 -113.74 -603.40 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain X : 0.64 3D Compatibility (PKB) : -113.74 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.425

(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: