Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFDKREERLGTQSVKWDKTGELFGVTDA--LPMWVADMDFRAPEAITEALKERLDHGIFGYTTPDQKTKDAVCGWMQNRHGWKVNPESITFSPGVVTALSMAVQAFTEPGDQVVVQPPVYTPFYHMVEKNGRHILHNPLLEKDGAYAIDFEDLETKLSDPSVTLFILCNPHNPSGRSWSREDLLKLGELCLEHGVTVVSDEIHSDLMLYGHKHTPFASLSDDFADISVTCAAPSKTFNIAGLQASAIIIPDRLKRAKFSASLQRNGLGGLNAFAVTAIEAAYSKGGPWLDELITYIEKNMNEAEAFLSTELPKVKMMKPDASYLIWLDFSAYGLSDAELQQRMLKKGKVILEPGTKYGPGGEGFMRLNAGCSLATLQDGLRRIKAALS 3B1D Chain:B ((9-390)) -NFQTAPNRLSHHTYKWKETE-----TDPQLLPAWIADMDFEVMPEVKQAIHDYAEQLVYGYTYASDELLQAVLDWEKSEHQYSFDKEDIVFVEGVVPAISIAIQAFTKEGEAVLINSPVYPPFARSVRLNNRKLVSNSLKEENGLFQIDFEQLENDIVENDVKLYLLCNPHNPGGRVWEREVLEQIGHLCQKHHVILVSDEIHQDLTLFGHEHVSFNTVSPDFKDFALVLSSATKTFNIAGTKNSYAIIENPTLCAQFKHQQLVNNHHEVSSLGYIATETAYRYGKPWLVALKAVLEENIQFAVEYFAQEAPRLKVMKPQGTYLIWLDFSDYGLTDDALFTLLHDQAKVILNRGSDYGSEGELHARLNIAAPKSLVEEICKRIVCCL-

General information: TITO was launched using: RESULT: Template: 3B1D.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2108 30614 14.52 80.56 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : 14.52 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.611

(partial model without unconserved sides chains): PDB file : Tito_3B1D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B1D-query.scw PDB file : Tito_Scwrl_3B1D.pdb: