Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------MKKPVPKIYRTTNWSSYNQALIKRGNISIWFDPKTQWYAQPQGKHGRNQTYSDAAIQCCLMIKSLFRLSLRMVTGFAQSLIKLCGLNWTAPDYSTLCRRQKRIDIAISYQQSRDGLHLLVDSTGLKFLGEGEWKRKKHQPAYRRQWRKLHIGIDAKTLQIRAVQLTTNNVSDSQVLGDLLDQIPLDERIDSVYTEGAYDTKHCRQVILDRDAHAVIPPRKNAKPWKDKKLRSLERNELLKTVKRLGRSLWKKWSGYHRRSLVETKMHCIK---------------------------------------------------------------- 3WRY Chain:A ((8-431)) SPRVFCIGTADTKFDELRFLSEHVRSSLNSFSNKSSFKVGVTVVDVSTSWKETNSCADFDFVPSKDVLSCHTLGEETMGTFADTRGLAIAIMSKALETFLSIANDEQNLAGVIGLGGSGGTSLLSSAFRSLPIGIPKVIISTVASGQTESYIGTSDLVLFPSVVDICGINNVSKVVLSNAGAAFAGMVIGRLESKFTVGVTMF-GVTTPCVNAVKERLVKEGYETLVFH----------------------ATG---------------VGGRAMEDLVRGGFIQGVLDITTTEVADYVVGGVMACDSSRFDAILEKKIPLVLSVGALD-------MVNFGPKTTIPPEFQQRKIHEHN----EQVSLMRTTVGENKKFAAFIAEKLNKASSSVCVCLPEKGVSALDAPGKDFYDPEATSCLTRELQMLLENNERCQVKVLPYHINDAEFANALVDSFLEISPK

General information: TITO was launched using: RESULT: Template: 3WRY.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 : 1056 22776 21.57 103.06 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 21.57 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.112

(partial model without unconserved sides chains): PDB file : Tito_3WRY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WRY-query.scw PDB file : Tito_Scwrl_3WRY.pdb: