Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKLSEEMKQTIMDIFEHLHANPEVSWKEYETTSFLKQKLEDLGCRTRTFSDCTGVVGEIGSGSP-VVAVRADIDAL-------WQEVNGTFRANHSCGHDSHMTMALGTLMLLKKQPELPKGTIRFIFQPAEEKGGGALKMIEEGVLDDIDYLYGVHVRP-IQETQNGRCAPSILHGSSQHIEGTIIGEEAHGARPHLGKNSIEIAAFLVHKLGLI---HIDPQIPHTVKMTKLQAGGESSNIIPGKASFSLDLRAQTNEAMEALIAETERACEAAAAAFGAKIEL--HKEHSLPAATQNKEAEAIMAEAITEIIGAERLDDPLVTTGGEDFHFYAVKVPNLKTTMLGLGCGLQPGLHHPHMTFDRNAMFTGIHILANAVLKTFQKAESLAAANAS 2Q43 Chain:A ((23-365)) ----SPEVFDWMVKIRRKIHENPELGYEELETSKLIRSELELIGIKYRYPVAITGVIGYIGTGEPPFVALRADMDALPIQEGVEWEHKSKIAGKMHACGHDGHVTMLLGAAKILHEHRHHLQGTVVLIFQPAEEGLSGAKKMREEGALKNVEAIFGIHLSARIPFGKAASRAGSFLAGAGV-FEAVITGK---------TIDPVVAASSIVLSLQQLVSRETDPLDSKVVTVSKVN---------PDSITIGGTLRAFTGFTQLQQRVKEVITKQAAVHRCNASVNLTPNGREPMPPTVNNKDLYKQFKKVVRDLLGQEAFVEAAPVMGSEDFSYFAETIPG-HFSLLGM-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q43.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 : 1677 -103874 -61.94 -332.93 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -61.94 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.324

(partial model without unconserved sides chains): PDB file : Tito_2Q43.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Q43-query.scw PDB file : Tito_Scwrl_2Q43.pdb: