Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALRHFLTLRDLSTLELNRILERASELKKMQQSNKVYQPFVGKVLGMIFEKSSTRTRISFEAGINQFGGSAIFLSPRDTQLGRGEPIEDSARVISSMLDIVMIRTFGHDIVERFASYSKVPVINGLTDDHHPCQLLADLQTYIEYRGSIEG-KTVAWIGDGNNMCNSYIEAAHMMGFKLKIASPKGYEPKPEFLAE-------FGHCVELFDNAEDAAVNADLIVTDVWASMGQEEEQKLREKAFADFQVNEKLMGLAHPDCLFMHCLPAHRGEEISETMLDHKNAVVWDEAENRLHAQKALMEFLLNENLKKA 3TPF Chain:B ((2-305)) --MKHFLTLRDFSKEEILSLVNHASELKKE-----PKKLLQDKTLAMIFEKNSTRTRMAFELAITELGGKALFLSSNDLQLSRGEPVKDTARVIGAMVDFVMMRVNKHETLLEFARYSKAPVINALSELYHPTQVLGDLFTIKEWNKMQNGIAKVAFIGDSNNMCNSWLITAAILGFEISIAMPKNYKISPEIWEFAMKQALISGAKISLGYDKFEALKDKDVVITDTWVSMGEENEKERKIKEFEGFMIDEKAMSVANKDAILLHCLPAYRGYEVSEEIFEKHADVIFEEARNRLYVVKALLCFLDNQRG---

General information: TITO was launched using: RESULT: Template: 3TPF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1664 -91460 -54.96 -308.98 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -54.96 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_3TPF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TPF-query.scw PDB file : Tito_Scwrl_3TPF.pdb: