Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAAIWAQDENGLIGKEDRLPWRLPNDLKFFKQMTEANTLVMGRKTFEGMGSRPLPNRQTIVLTRDSSYKAEGVHVMHSVEDVLALEKETDGIFFIAGGSAVYQEFLPFCTILYRTVIHHVFDGDAYFPPVDWSDWSLINTSQGEMDEKNRYPHQFETYQRNENPVKSGTGELTI 3S9U Chain:B ((6-165)) -VSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIG-RPLPGRRNIIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIF-IFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEKQQ------------

General information: TITO was launched using: RESULT: Template: 3S9U.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 : 733 -105126 -143.42 -657.03 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -143.42 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_3S9U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S9U-query.scw PDB file : Tito_Scwrl_3S9U.pdb: