Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYRAVFPMLIIVFALSGCTLSTINPMKKSRIDNIHHTQILFFSDENQIDQEAPYYDALLDLEKDYPEQIDKMKVYDKKEG---WEDEIETVPTLMVVDQRHVVVKIEGCVKKKEDIIKPLQHVLSK 3VFI Chain:A ((19-105)) ------------------------------------DPIIIMFTGSWC-QPCKKMKPTFEEMASQMEGDIRFAYMDAEDAEKTMAELNIRTLPSLALFVDGMIREVFSG-TMNKSDLRYWINNNI--

General information: TITO was launched using: RESULT: Template: 3VFI.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 : 321 -51931 -161.78 -618.22 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -161.78 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.652

(partial model without unconserved sides chains): PDB file : Tito_3VFI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VFI-query.scw PDB file : Tito_Scwrl_3VFI.pdb: