Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVKGKNVFITGSTRGIGKAMALAFAKAGANIILNGRGEIPKEKIEEIEAFGVKCVGVSGDISDYEKAGQMIKEAEEKLGSIHVLVNNAGITNDKLVMRMDAEDFKKCLDINLIGTFNMTQHVLKKMMKQREGAIINLSSVSGLIGNIGQANYAASKAGVVGLTKSVAREAATRGITCNAIAPGFITTDMTEVLADKVKEQAEKQIPMQRFGQVEDIAQTAVFLA--QNPYITGQVINVDGGLVMHG 4WK6 Chain:B ((8-249)) MNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDY--LGDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVASVVGTM----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 B - contact count / total energy / energy per contact / energy per residue : 1261 -130087 -103.16 -551.22 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -103.16 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.86 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: