Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHVITTQVLFIFCFLLLIHSIETLAYATRLSGARVGFIASALSLFNVMVIVSRMSNMVQQPFTGHLIDDAGKNALAIVGEQFRFLIFGSTVGTILGIILLPSFVALFSRAIIHLAGGGGSVFQVFRKGFSKQGFKNALSYLRLPSISYVKGFHMRLIPKRLFVINMLITSIYTIGVLSALYAGLLAPERSTTAVMASGLINGIATMLLAIFVDPKVSVLADDVAKGKRSYIYLKWTSVTMVTSRVAGTLLAQLMFIPGAYYIAWLTKWF 2XFK Chain:A ((321-349)) ---------------------------------------------------------------------------------YKFAISQSSTGTVMGAVIMEGFYVVFDRA---------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XFK.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 : 20 -4792 -239.58 -165.22 target 2D structure prediction score : 0.10 Monomeric hydrophicity matching model chain A : 0.42 3D Compatibility (PKB) : -239.58 2D Compatibility (Sec. Struct. Predict.) : 0.10 1D Compatibility (Hydrophobicity) : 0.42 QMean score : 0.186

(partial model without unconserved sides chains): PDB file : Tito_2XFK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XFK-query.scw PDB file : Tito_Scwrl_2XFK.pdb: