Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MKLNKFNFLKENIRNLYSSGVIYLSLLISFIP-------PILLTFFILKTQGTSLGIKHISNFYAMLGMLMAVIHANRVISRDFSHNTV-----SLFYNQQKNRMIYVLSNFLYAISVSIIYALNGIVLLVIVSKLGIPGDLGLD--------FIVAIVVNTILLVLFYFLLSYIF--YLYKLKSGLVFGILVALLLFIPNILNTMMMNTSNDLFIKAIELLPFY-----SLPVFVASNTMSISQYLVL---------ITTIILLYFFTLKKSKKYSF 2AZJ Chain:A ((1-276)) MSIIEFWLEAKATIDRLIEQFLNSNRDWDLVDISSYILKDGKRFRGTLNMFFTVALGGD------IKDSYGGALAIEILHSASLALCDIVDLDATRRGDKAAWVVYGNRKVIFITNYLIPTALRIIQTSYGDDALNTSIELWKDTSVGALRDMYDNSDYIRTIELKTGSLFKLSTVLSAYASKHYNTKQQMLDVGKYLGIIYQVIDDFVDYKTKKVEEIDGSAKQLFKYYREGKLEEYVRSVYLEYKQKYDELISNIPFQSKYLSEIRSLPEFLANGLLKEA-

General information: TITO was launched using: RESULT: Template: 2AZJ.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 : 1028 -84592 -82.29 -359.96 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -82.29 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.302

(partial model without unconserved sides chains): PDB file : Tito_2AZJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AZJ-query.scw PDB file : Tito_Scwrl_2AZJ.pdb: