Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPLHISLEKKKVVIAGGGSIALRRLKTVISEGADITLVSPDVEPEIKQMA----E------------ERRIKWEKRTIEKEDY------LNAFFIIAATDNAAVNKEIAQSASP----FQLVNCVSDAELGNVYMPKIVKRG-HVTVSVSTSGASPKHTKELAENVDKLIDG----DFVAEVNRLYQMRRKK 1KYQ Chain:A ((4-207)) SLQLAHQLKDKRILLIGGGEVGLTRLYKLMPTGCKLTLVSPDLHKSIIPKFGKFIQKRFINPNWDPTKNEIYEYIRSDFKDEYLDLENENDAWYIIMTCIPDHPESARIYHLCKERFGKQQLVNVADKPDLCDFYFGANLEIGDRLQILISTNGLSPRFGALVRDEIRNLFTQMGDLALEDAVVKLGELRRGI

General information: TITO was launched using: RESULT: Template: 1KYQ.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 : 631 -86037 -136.35 -531.09 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -136.35 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_1KYQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KYQ-query.scw PDB file : Tito_Scwrl_1KYQ.pdb: