Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPTKQHKKETFTHFIFRVFMILVGAASAAVSIELFLIPNDFIDGGIIGVSLILDHLFMSNPFLNFAFFVVILNIPFMIFGYKYIGKTFLVSTFIGIVGLAVIESSLHHVEAITTQPILATVFGGLLLGFGVGLVIRNGGSMDGTEILGILLTKKLPFSVGEFVMFINVFIFIWAVFVFGPEQAMYSFMTYYIAMKTIDAVIQGLDETKAVIIVSEQYDEISDAILHRLGRGTTKLKGKGGYTDEEKDVIYAVVTRLEVTKLKSIVFEVDQNAFITIMNTHETRGGKFKNAIH------ 3A1Y Chain:G ((1-284)) MAHVAEWKKKEVEELAKLI----------KSYPVIALVDVSSMP-----------------------------AYPLSQMRRLIRENGGLLRVSRNTLIELAIKKAAKELGKPELEKLVEYIDRG------AGILVTNMNPFKLYKFLQQNRQPQ-PLEVGLDVLAVYEDGIVYTPDVLAID-------------------------------EQEYIDMLQKAYMHAFNLAVNIAYPT-----------PETIEAIIQKAFLNAKTVAIEAGYITKETIQDIIGRAFRAMLLLAQQLP

General information: TITO was launched using: RESULT: Template: 3A1Y.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 689 -98312 -142.69 -479.57 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain G : 0.54 3D Compatibility (PKB) : -142.69 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.203

(partial model without unconserved sides chains): PDB file : Tito_3A1Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A1Y-query.scw PDB file : Tito_Scwrl_3A1Y.pdb: