Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVKGKNVFITGSTRGIGKAMALAFAKAGANIILNGRGEIPKEKIEEIEAFGVKCVGVSGDISDYEKAGQMIKEAEEKLGSIHVLVNNAGITNDKLVMRMDAEDFKKCLDINLIGTFNMTQHVLKKMMKQREGAIINLSSVSGLIGNIGQANYAASKAGVVGLTKSVAREAATRGITCNAIAPGFITTDMTEVLADKVKEQAEKQIPMQRFGQVEDIAQTAVFLA--QNPYITGQVINVDGGLVMHG 4WK6 Chain:D ((8-249)) MNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDY--LGDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGIT---LLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVAS---------QANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKALNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMY---

General information: TITO was launched using: RESULT: Template: 4WK6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1186 -126331 -106.52 -554.08 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.85 3D Compatibility (PKB) : -106.52 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.569

(partial model without unconserved sides chains): PDB file : Tito_4WK6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WK6-query.scw PDB file : Tito_Scwrl_4WK6.pdb: