Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIGIIAAMPEELAYLVQHLDNTQEQVVLGNTYHTGTIASHEVVLVESGIGKVMSAMSVAILADHFQVDALINTGSAGAVAEGIAVGDVVIADKLAYHDVDVTAFGYAYGQMAQQPLYFESDKTFVAQIQESLSQLDQNWHLGLIATGDSFVAGNDKIEAIKSHFPEVLAVEMEGAAIAQAAHTLNLPVLVIRAMSDNANHEANIFFDEFIIEAGRRSAQVLLAFLKALD 4JWT Chain:A ((23-250)) MKIAIMGAMPEEISPILEKIGSYKSTSYAGNKYYEATYQGVELVIAYSKIGKVFSALSAATMIEHFGATKLLFSGVAGAISTNLKVGDLIVATKLSQHDLDITAFGHPYGYVPEGSVFVEADKDMIELSKKVALEMGKSVQEGIIATGDQFVANEERKNWIGTTF-GADALEMEGGSVGVVCNALNIPFFILRSISDAADMDASFSFDEFLESSAKESAEFIMKMVDEL-

General information: TITO was launched using: RESULT: Template: 4JWT.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 : 1387 -165559 -119.36 -726.14 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -119.36 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_4JWT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JWT-query.scw PDB file : Tito_Scwrl_4JWT.pdb: