Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAETH----TAIVFFAGDRAYKVKKAVD-LGFVDYTDRQARRAACV-----------------REVALNRRFAPD------VYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWE--------------ASFEQVRATTEGGSGFDGVPEVQ----------RLVRRYLAGR--EALFDSRIEQRRVVDGHGDLLAEDIFCLDD--GPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGA------------------------PAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFV----------------RAKVSLIQAEQGAPG--VRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRLG------VTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAAR-----LSTRSPGPSDADLGVADALAAREPPWPDAVVVDTSGPLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP 1I2D Chain:A ((2-573)) ANAPHGGVLKDLLARDAPRQAELAAEAESLPAVTLTERQLCDLELIMNGGFSPLEGFMNQADYDRVCEDNRLADGNVFSMPITLDASQEVIDEKKLQAGSRITLRDFRDDRNLAILTIDDIYRPDKTKEAKLVFGGDPEHPAIVYLNNTVKEFYIGGKIEAVNKLNHYDYVALRYTPAELRVHFDKL-GWSRVVAFQTRNPMHRAHRELTVRAARSRQANVLIHPVVGLTKPGDIDHFTRVRAYQALLPRYPNGMAVLGLLGLAMRMG-GPREAIWHAIIRKNHGATHFIVGRDHAGPGSNSKGEDFYGPYDAQHAVEKYKDELGIEVVEFQMVTYLPDTDEYRPVDQVPAGVKTLNISGTELRRRLRSGAHIPEWFSYPEVVKILRESNPPRATQGFTIFLTG-YMNSGKDAIARALQVTLNQQGGRSVSLLLGDTVRHELSSELG------------FTREDRHTNIQRIAFVATELTRAGAAVIAAPIAPYEESRKFARDAVSQA-GSFFLVHVATPLEHCEQSDKRGIYAAARRGEIKGFTGVDDPYE--TPEKADLVVDFSKQSVRSIVHEIILVLESQGFLERQ--------------------

General information: TITO was launched using: RESULT: Template: 1I2D.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 : 2349 56814 24.19 122.71 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 24.19 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.335

(partial model without unconserved sides chains): PDB file : Tito_1I2D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1i2d-query.scw PDB file : Tito_Scwrl_1I2D.pdb: