Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNLRIALISKDWIWKVRKRNKEMTKRIPNLQVALDHSDLQGAIKAAVSVGQEVDIIEAGTVCLLQVGSELAEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKTERGERGEIQIELYGDWTFEQAQLWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLDVDTLKLFEGVDVFTFIAGRGITEAADPAGAARAFKDEIKRIWG 3EXS Chain:D ((4-221)) --------------------------QLPNLQVALDHSNLKGAITAAVSVGNEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICSATIPTMKAARKAIEDINPDKGEIQVELYGDWTYDQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIEMGFRVSVTGGLSVDTLKLFEGVDVFTFIAGRGITEAKNPAGAARAFKDEIKRIWG

General information: TITO was launched using: RESULT: Template: 3EXS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1229 -148467 -120.80 -681.04 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.93 3D Compatibility (PKB) : -120.80 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.604

(partial model without unconserved sides chains): PDB file : Tito_3EXS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EXS-query.scw PDB file : Tito_Scwrl_3EXS.pdb: