Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASNRYHSINEIMESQLFYQITTPPKKTQKAQYDPEVEKFLEIIEFVKENGREPQKVPTDLTERSLASRLIGIRKDPDRMEYLKEYDEIGLLEVRSKELTIPKISSIDDILKSGLSALLGDNLNNDITRSIFDTSSLQKVTTMPEYVAKRKKIKDFGKFEELFKKCHKEITEGKRKILTFKNEQDIQSNSFYILKGVLLYVEDVGERKKAKGKTNARLRCIFENGTESDMLLRSLSAELYKHGRRVTDNEDTLLDNVREDDVSTGFIYVLKSLSTDPQISSIKNLYKIGFTTGSVENRIRNAENQ----STYLYAPVEIVTTYQVF-NMNASKFETAIHHALANNNLDVSILGANGKMLVPKEWFVVTLEDLQAVIDEIVMMVHLYD 1ZG2 Chain:A ((6-74)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MNHYVYILECK---------DGSWYTGYTT-DVDRRIKKHASGKGAKYTRGRGPFRLVATWAFPSKEEAMRWEYEVKHL----------------------------------------------

General information: TITO was launched using: RESULT: Template: 1ZG2.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 : 157 -18789 -119.68 -293.58 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -119.68 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.214

(partial model without unconserved sides chains): PDB file : Tito_1ZG2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ZG2-query.scw PDB file : Tito_Scwrl_1ZG2.pdb: