Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGYPKEGETIQIHS-YKHNGLIHRIWNETTILKSTEMCVIGANDRTMVTESDGRTWITREPAICYFHARQWFNVIGMLREDGVHYYCNISSPFAYDGEAIKYIDYDLDVKVFPDMTYNILDEDEYDDHRKAMNYPKEIDSILRDYLNTLLHWIHQRQGPFAPEFVDMWYERYLRYTK 2X4J Chain:A ((16-136)) --FFTNKIGCNVSSPLKHVDIVGEIVEE-----AVYNFLIDAGDKMCVGNKIG-VWKVSRKSL-YAKVPKGIGVTVYLANGRVQ------------GRLIDIGVYEVLVEEVGDIIYIH------KDLVYALCWPK-----------------------------------------

General information: TITO was launched using: RESULT: Template: 2X4J.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 : 535 -65043 -121.57 -602.25 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -121.57 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.044

(partial model without unconserved sides chains): PDB file : Tito_2X4J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X4J-query.scw PDB file : Tito_Scwrl_2X4J.pdb: