Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKGAIFLRPKQQLFITLLVILGALFNNISVSASAFNFSVTPITSENQIDKRKTYFDLQLDPDQEVEVKAELRND-TEKEVKIDISVNSATTNSNVMVEYGKNEIEKDMSLIFDLVDYVSY-PQIVTLKPKSVQTVAFHVRMPNE-RFDGVLAGGITFQEIQTEKDQTETKDQSLSIENEYTYIIALLMQQTLNEVAPNLT--LHEVKPDQINARNVILANVQNDQKTYINQVVIETKITKKGHSEVLYQEEKEGLQIAPNTNFSFPTALNGQPLTPGEYHLTMTVLGNENENGKFSRKKGNTTINYTNQWVFEKDFTIDGKVAKELNTTDVTIKKDNNWIYILVASLFLLFILLCILLFVLRKKEEKEK 3BWU Chain:C ((11-194)) -----------------------------------------------------------YPAGQ-KQEQLAVTNNDENSTYLIQSWVE----NADG-----------------VKDGRFIVTPPLFAMKGKKENTLRILDATNNQLPQDRESLFWMNVKAIPSMD--------ENTLQLAIISRIKLYYRPAK--LALPPDQAAEKLRFRR----SANSLTLINPTPYYLT-VTE-LNAG----TR-----VLENALVPPMGESTVKLPS--D--AGSNITYRTIND-YG--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BWU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 751 28029 37.32 161.09 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain C : 0.59 3D Compatibility (PKB) : 37.32 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_3BWU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BWU-query.scw PDB file : Tito_Scwrl_3BWU.pdb: