Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLRQPMPELTGEKAWLNGEVTRE---QLIGEKPTLIHFWSISCHLCKEAMPQVNEFRDKYQDQ-LNVVAVHMPRSEDDLDPGKIKETAAEHDITQPIFVDSDHALTDAFENEYVPAYYVFDKTGQLRHFQAGGSGMKMLEKRVNRVLAETE 5CYY Chain:A ((401-545)) -------PDLKGITGWLNTPGNKPIDLKSLRGKVVLIDFWAYSCINCQRAIPHVVGWYQAYKDSGLAVIGVHTPEYAFEKVPGNVAKGAANLGISYPIALDNNYATWTNYRNRYWPAEYLIDATGTVRHIKFGEGDYNVTETLVRQLLNDAK

General information: TITO was launched using: RESULT: Template: 5CYY.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 : 692 -68919 -99.59 -488.78 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -99.59 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.620

(partial model without unconserved sides chains): PDB file : Tito_5CYY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CYY-query.scw PDB file : Tito_Scwrl_5CYY.pdb: