Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRMHLPTLLKNKEKSQRSRQMSSSKTIGIIGGGQLGQMMAISAIYMGHKVIALDPAADCPASRVAEI-IVAPYNDVDALRQLADRCDVLTYEFENVDADGLDAVIKDGQLPQGTDLLRISQNRIFEKDFLSNKSQVTVAPYKVVTSSLDLADIDLSKNY-----VLKTATGGYDGHGQKVIRSEADLEAAYALADSADCVLEEFVNFDLEISVIVS-GNGKEVTFFPVQENIHRNNILSKTIVPARISESL-VDKAKAMAVRIAEQLNLSGTLCVEMFATDD-DVIVNEIAPRPHNSGHYSIEACDFSQFDTHILGVLGAPLPVIKLHAPAVMLNVLGQ----------HVEAAEQYVTENSSAHLHMYGKIEAKHNRKMGHVTLFSDVPDSVDELGEGIDF 4E4T Chain:A ((38-401)) --------------------------LGMVGGGQLGRMFCFAAQSMGYRVAVLDPDPASPAGAVADRHLRAAYDDEAALAELAGLCEAVSTEFENVPAASLDFLARTTFVAPAGRCVAVAQDRIAEKRFI-EASGVPVAPHVVIESAAALAALDDAALDAVLPGILKTARLGYDGKGQVRVSTAREARDAHAALGGVPCVLEKRLPLKYEVSALIARGADGRSAAFPLAQNVHHNGILALTIVPAPAADTARVEEAQQAAVRIADTLGYVGVLCVEFFVLEDGSFVANEMAPRPHNSGHYTVDACATSQFEQQVRAMTRMPLGNPRQHSPAAMLNILGDVWFPNGAAAGAVTPPWDTVAAMPAAHLHLYGKEEARVGRKMGHVNFTAEMRD-----------

General information: TITO was launched using: RESULT: Template: 4E4T.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 : 1945 -21928 -11.27 -63.56 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -11.27 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_4E4T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E4T-query.scw PDB file : Tito_Scwrl_4E4T.pdb: