Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------MAE-THTAIVFFAGDRAYKVKKAVDLGFVDYTDRQAR------RAACVREVALNRRFAPDVYLG-----VGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADV--------------DEVLRAVARRL-AAWHATAPRGRDVDEQGTRDALASRWEASFEQVRA--------TTEGGSGFDGVPEVQRLVRRYLAGREALFDS------RIEQRRVVDGHGDLLAEDIF-----CLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRL------GVTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAA------ARLSTRSPGPSDADLGVADALAAREPPWPDAVVVDTSG-PLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP 1I2D Chain:A ((2-573)) ANAPHGGVLKDLLARDAPRQAELAAEAESLPAVTLTERQLCDLELIMNGGFSPLEGFMNQADYDRVCEDNRLADGNVFSMPITLDASQEVIDEKKLQAGSRITLRDFRDDRNLAILTIDDIYRPDKTKEAKLVFGGDPEHPAIVYLNNTV---KEFYIGGKIEAVNKLNHYDY-------VALRYTPAELRVHFDKLGWSRVVAFQTRNPMHRAHRELTVRAARSRQANVLIHPVVGLTKPGDIDHFTRVRAYQALLPRYPNGMAVLGLLGLAMRMGGPREAIWHAIIRKNHGATHFIVGRDHAGPGSNSKGE--DFYGPYDAQHAVEKYKDELGIEVVEFQMVTYLPDTDEYRPVDQVP------AGVKTLNISGTELRRRLRS-GAHIPE----------------------WFSYPEVVKILRESNP-----PRATQGFTIFLTGYMNSGKDAIARALQVTLNQQGGRSVSLLLGDTVRHE------------LSSELGFTREDRHTNIQRIAFVATELTRAGAAVIAAPIAPYEESRKFARDAVSQAG-SFFLVHVATPLEHCEQSDKRGIYAAARRGEIKGFT-GVDDPY---ETPEKADLVVDFSKQSVRSIVHEIILVLESQG-----FLERQ---------------

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 : 2211 67547 30.55 161.59 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 30.55 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.301

(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: