Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFDRNTPIAFLGIGLMGNRMASHLIQAGFQVAVWNRT-ASACEELIDIGAHALDLSNIGQYPLILTCLADDKAVQAVFDQIQTNLKAGQVIVDFSSLSVAATKALAQAAALQDVIWIDSPVSGGTAGAEQGTLVIFAGGDAQTIEALSPVYNVLSQRVTRMGDTGTGQATKICNQLIVAANSALIAEAVALADRAGVDTTLLAPALAGGFADSKPFQILAP-RMATHTFEPVQWKVQTLSKDLNNAVTLANNVNLDIPVAQKALLQLQTHQKNSFAEKDLATMIQVVEQ 1WP4 Chain:A ((4-282)) --------VAFIGLGAMGYPMAGHLARR-FPTLVWNRTFEKALRHQEEFGSEAVPLERVAEARVIFTCLPTTREVYEVAEALYPYLREGTYWVDATSGEPEASRRLAERLREKGVTYLDAPVSGGTSGAEAGTLTVMLGGPEEAVERVRP-FLAYAKKVVHVGPVGAGHAVKAINNALLAVNLWAAGEGLLALVKQGVSAEKALEVINASSGRSNATENLIPQRVLTRAF-PKTFALGLLVKDLGIAMGVLDGEKAPSPLLRLAREVYEMAKRELGPDADHVEALRLLER

General information: TITO was launched using: RESULT: Template: 1WP4.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 : 1507 -31085 -20.63 -112.22 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -20.63 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_1WP4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WP4-query.scw PDB file : Tito_Scwrl_1WP4.pdb: