Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MYDEECPIMANDNHNQVLDEHTEVVVEGDKASAKRARKVKPKT-SDVGSTASLFGIAPYQPK------------KNEEYMSEGQLEH-F-RQIL---QTWKAELMSEVDRTLNTMQDESTALPDVNDRATQEEEFAIELRTRDRERKLIRKIEQSLEAIKNEDYGFCETCGIEIGLR------RLEARPTATLCIDCKTLAEIKEKQNNG---------- 4QVU Chain:A ((38-254)) DILATEGSIIWLKNKFPTLKDTFQTVLIETDNCEDHIATYTEEHMR----SLIRFSIKHWLNLQKNEEFTSVILYKNHGPFSGGSLHHAHMQIIGMKYVNYLDNVEQDNFQGVIVQKNEHIELNISDRPIIGFTEFNIIIEDIGCIDELANYIQQTVRYILTDFHKGCSSYNLFFYYLNEKIICKVVPRFVVSPLYVGYKIPQVSTKIEDVKIQLAAYFTK

General information: TITO was launched using: RESULT: Template: 4QVU.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 : 843 32866 38.99 180.58 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 38.99 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.110

(partial model without unconserved sides chains): PDB file : Tito_4QVU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QVU-query.scw PDB file : Tito_Scwrl_4QVU.pdb: