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

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 : 1082 15504 14.33 69.21 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 14.33 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.107

(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: