Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRMRHKPWADDFLAENADIAISNPADYKGKWNTVFGNDNPIHIEVGTGKGQFISGMAKQNPDINYIGIELFKSVIVTAVQKVKDSEAQNVKLLNIDADT-LTDVFEPGEVKRVYLNFSDPWPKKRHEKRRLTYSHFLKKYEEVMGKGGSIHFKTDNRGLFEYSLKSFSEY-GLLLTYVSLDLHNSNLEGNIMTEYEEKFSALGQPIYRAEVEWRT 3DXY Chain:A ((23-208)) --------------------------DMLDFPALFGREAPVTLEIGFGMGASLVAMAKDRPEQDFLGIEVHSPGVGACLASAHEEGLSNLRVMCHDAVEVLHKMIPDNSLRMVQLFFPDPWHKARHNKRRIVQVPFAELVKSKLQLGGVFHMATDWEPYAEHMLEVMSSIDGYKNLSESNDYVPR-PASRPVTKFEQRGHRLGHGVWDLMFER--

General information: TITO was launched using: RESULT: Template: 3DXY.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 : 903 -27996 -31.00 -152.15 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -31.00 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_3DXY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DXY-query.scw PDB file : Tito_Scwrl_3DXY.pdb: