Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAACTARRALAVGSRWWSRSLTGARWPRPLCAAAGAGAFSPASTTTTRRHLSSRNRPEGKVLETVGVFEVPKQNGKYETGQLFLH-SIFGYRGVVLFPWQARLYDRDVASAAPEKAENPAGHGSKEVKGKTHTYYQVLIDARDCPHISQRSQTEAVTFLANHDDSRALYAIPGLDYVSHEDILPYTSTDQVPIQHELFERFLLYDQTKAPPFVARETLRAWQEKNHPWLELSDVHRETTENIRVTVIPFYMGMREAQNSHVYWWRYCIRLENLDSDVVQLRERHWRIFSLSGTLETVRGRGVVGREPVLSKEQPAFQYSSHVSLQASSGHMWGTFRFERPDGSHFDVRIPPFSLESNKDEKTPPSGLHW 3W4S Chain:A ((1-273)) ------MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALAL------------------SRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLD------------------------GNRRRLKLLERAS--PIEELPDGEYDVLLMNPVARE--------------------------------VPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHAD------LGEYQYLQG----FSPEFVDVLLLSNGPEPGKAFL-HGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKN---RSVDFSMDDVNELAMKVEVKRV

General information: TITO was launched using: RESULT: Template: 3W4S.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 : 1625 -30386 -18.70 -111.71 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -18.70 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.177

(partial model without unconserved sides chains): PDB file : Tito_3W4S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W4S-query.scw PDB file : Tito_Scwrl_3W4S.pdb: