Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVRNRKGATELLEANPQYVVLNPLEAKAKWRDLFGNDNPIHVEVGSGKGAFVSGMAKQNPDINYIGIDIQKSVLSYALDKVLEVGVPNIKLLWVDGSDLTD-YFEDGEIDRLYLNFSDPWPKKRHEKRRLTYKTFLDTFKRILPENGEIHFKTDNRGLFEYSLVSFSQY-GMKLNGVWLDLHASDFEGNVMTEYEQKFSNKGQVIYRVEAEF 3DXY Chain:A ((24-208)) ---------------------------MLDFPALFGREAPVTLEIGFGMGASLVAMAKDRPEQDFLGIEVHSPGVGACLASAHEEGLSNLRVMCHDAVEVLHKMIPDNSLRMVQLFFPDPWHKARHNKRRIVQVPFAELVKSKLQLGGVFHMATDWEPYAEHMLEVMSSIDGYKNLSESNDYVPR-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 : 901 -39202 -43.51 -214.22 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -43.51 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.368

(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: